5-amino-2-methylbenzenesulfonamide;5-[[4-[(6-amino-5-methyl-2-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide;methane

C41H53ClF2N14O5S2 — CID 165066230

IUPAC5-amino-2-methylbenzenesulfonamide;5-[[4-[(6-amino-5-methyl-2-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide;methane
SMILESC.C.Cc1ccc(N)cc1S(N)(=O)=O.Cc1ccc(Nc2nc(Cl)ncc2F)nc1NC(=O)C(C)(C)C.Cc1ccc(Nc2ncc(F)c(Nc3ccc(C)c(N)n3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C17H18FN7O2S.C15H17ClFN5O.C7H10N2O2S.2CH4/c1-9-3-5-11(7-13(9)28(20,26)27)22-17-21-8-12(18)16(25-17)24-14-6-4-10(2)15(19)23-14;1-8-5-6-10(19-11(8)21-13(23)15(2,3)4)20-12-9(17)7-18-14(16)22-12;1-5-2-3-6(8)4-7(5)12(9,10)11;;/h3-8H,1-2H3,(H2,20,26,27)(H4,19,21,22,23,24,25);5-7H,1-4H3,(H2,18,19,20,21,22,23);2-4H,8H2,1H3,(H2,9,10,11);2*1H4
InChIKeyRZWVDACWDXQPHB-UHFFFAOYSA-N
MW959.55 g/mol
LogP7.54
Rot. Bonds9

About 5-amino-2-methylbenzenesulfonamide;5-[[4-[(6-amino-5-methyl-2-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide;methane

5-amino-2-methylbenzenesulfonamide;5-[[4-[(6-amino-5-methyl-2-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide;methane (PubChem CID 165066230) has the molecular formula C41H53ClF2N14O5S2 and a molecular weight of 959.55 g/mol. Its IUPAC name is 5-amino-2-methylbenzenesulfonamide;5-[[4-[(6-amino-5-methyl-2-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide;methane.

Molecular Properties

Compound Name5-amino-2-methylbenzenesulfonamide;5-[[4-[(6-amino-5-methyl-2-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide;methane
PubChem CID165066230
Molecular FormulaC41H53ClF2N14O5S2
Molecular Weight959.55 g/mol
Exact Mass958.34
IUPAC Name5-amino-2-methylbenzenesulfonamide;5-[[4-[(6-amino-5-methyl-2-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide;methane
SMILESC.C.Cc1ccc(N)cc1S(N)(=O)=O.Cc1ccc(Nc2nc(Cl)ncc2F)nc1NC(=O)C(C)(C)C.Cc1ccc(Nc2ncc(F)c(Nc3ccc(C)c(N)n3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C17H18FN7O2S.C15H17ClFN5O.C7H10N2O2S.2CH4/c1-9-3-5-11(7-13(9)28(20,26)27)22-17-21-8-12(18)16(25-17)24-14-6-4-10(2)15(19)23-14;1-8-5-6-10(19-11(8)21-13(23)15(2,3)4)20-12-9(17)7-18-14(16)22-12;1-5-2-3-6(8)4-7(5)12(9,10)11;;/h3-8H,1-2H3,(H2,20,26,27)(H4,19,21,22,23,24,25);5-7H,1-4H3,(H2,18,19,20,21,22,23);2-4H,8H2,1H3,(H2,9,10,11);2*1H4
InChIKeyRZWVDACWDXQPHB-UHFFFAOYSA-N
XLogP7.54
TPSA314.89 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500959.55
LogP ≤ 57.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-methylbenzenesulfonamide;5-[[4-[(6-amino-5-methyl-2-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide;methane with MolForge

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Related Compounds

5-[[4-(3-chloro-4-methoxyanilino)-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 25187810
6-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]-1H-indole-3-carboxamide
CID 25124988
5-[[5-fluoro-4-(1H-indol-5-ylamino)pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 67047589
2-chloro-5-[[5-fluoro-4-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 89431806
5-[[4-[4-(1-cyanoethoxy)-3,5-dimethylanilino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 15604862
2-[[4-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methylamino]butanamide
CID 68874092
6-amino-3-methylpyridine-2-sulfonamide;6-amino-4-methylpyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one;2,4-dichloro-5-methylpyrimidine;2-methyl-5-[[5-methyl-4-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 157179711
6-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 67046986
5-[[5-fluoro-4-[4-(2H-triazol-4-ylmethyl)anilino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 68872687
2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 22060880
2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 79080415
5-[[5-fluoro-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)amino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 25126992

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methylbenzenesulfonamide;5-[[4-[(6-amino-5-methyl-2-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide;methane?
The IUPAC name of 5-amino-2-methylbenzenesulfonamide;5-[[4-[(6-amino-5-methyl-2-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide;methane (CID 165066230) is 5-amino-2-methylbenzenesulfonamide;5-[[4-[(6-amino-5-methyl-2-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide;methane.
What is the SMILES notation for 5-amino-2-methylbenzenesulfonamide;5-[[4-[(6-amino-5-methyl-2-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide;methane?
The canonical SMILES for 5-amino-2-methylbenzenesulfonamide;5-[[4-[(6-amino-5-methyl-2-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide;methane is C.C.Cc1ccc(N)cc1S(N)(=O)=O.Cc1ccc(Nc2nc(Cl)ncc2F)nc1NC(=O)C(C)(C)C.Cc1ccc(Nc2ncc(F)c(Nc3ccc(C)c(N)n3)n2)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-methylbenzenesulfonamide;5-[[4-[(6-amino-5-methyl-2-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide;methane?
The InChIKey is RZWVDACWDXQPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7O2S.C15H17ClFN5O.C7H10N2O2S.2CH4/c1-9-3-5-11(7-13(9)28(20,26)27)22-17-21-8-12(18)16(25-17)24-14-6-4-10(2)15(19)23-14;1-8-5-6-10(19-11(8)21-13(23)15(2,3)4)20-12-9(17)7-18-14(16)22-12;1-5-2-3-6(8)4-7(5)12(9,10)11;;/h3-8H,1-2H3,(H2,20,26,27)(H4,19,21,22,23,24,25);5-7H,1-4H3,(H2,18,19,20,21,22,23);2-4H,8H2,1H3,(H2,9,10,11);2*1H4.
What are the key properties of 5-amino-2-methylbenzenesulfonamide;5-[[4-[(6-amino-5-methyl-2-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide;methane?
5-amino-2-methylbenzenesulfonamide;5-[[4-[(6-amino-5-methyl-2-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide;methane has a molecular weight of 959.55 g/mol, XLogP of 7.54, 9 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methylbenzenesulfonamide;5-[[4-[(6-amino-5-methyl-2-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide;methane is sourced from PubChem (CID 165066230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).