4-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)amino]benzenesulfonamide

C20H26N2O3S — CID 174776190

IUPAC4-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)amino]benzenesulfonamide
SMILESCc1c(C)c2c(c(C)c1Nc1ccc(S(N)(=O)=O)cc1)CCC(C)(C)O2
InChIInChI=1S/C20H26N2O3S/c1-12-13(2)19-17(10-11-20(4,5)25-19)14(3)18(12)22-15-6-8-16(9-7-15)26(21,23)24/h6-9,22H,10-11H2,1-5H3,(H2,21,23,24)
InChIKeyKRXDURCZPDJYEM-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.11
Rot. Bonds3

About 4-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)amino]benzenesulfonamide

4-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)amino]benzenesulfonamide (PubChem CID 174776190) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)amino]benzenesulfonamide
PubChem CID174776190
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)amino]benzenesulfonamide
SMILESCc1c(C)c2c(c(C)c1Nc1ccc(S(N)(=O)=O)cc1)CCC(C)(C)O2
InChIInChI=1S/C20H26N2O3S/c1-12-13(2)19-17(10-11-20(4,5)25-19)14(3)18(12)22-15-6-8-16(9-7-15)26(21,23)24/h6-9,22H,10-11H2,1-5H3,(H2,21,23,24)
InChIKeyKRXDURCZPDJYEM-UHFFFAOYSA-N
XLogP4.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)amino]benzenesulfonamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-amine
CID 19078609
2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide
CID 142779358
4-N-(4-methyloxan-4-yl)benzene-1,4-disulfonamide
CID 115756410
4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]benzenesulfonamide
CID 15764446
1-methyl-N-(4-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 16584802
(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonyl 2,2,2-trifluoroacetate
CID 150792042
4-(2-cyclopentylidenehydrazinyl)benzenesulfonamide
CID 139083383
4-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzenesulfonamide
CID 115361109
4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide
CID 82059643
3,5-diamino-2,4,6-trimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 139292939
4-[(6-amino-4,4-dimethyl-1H-1,3,5-triazin-2-yl)amino]benzenesulfonamide
CID 170987803
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[[(E)-N'-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonyl]carbamimidoyl]amino]phenyl]propanoic acid
CID 162420844

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)amino]benzenesulfonamide (CID 174776190) is 4-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)amino]benzenesulfonamide is Cc1c(C)c2c(c(C)c1Nc1ccc(S(N)(=O)=O)cc1)CCC(C)(C)O2.
What is the InChIKey of 4-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)amino]benzenesulfonamide?
The InChIKey is KRXDURCZPDJYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-12-13(2)19-17(10-11-20(4,5)25-19)14(3)18(12)22-15-6-8-16(9-7-15)26(21,23)24/h6-9,22H,10-11H2,1-5H3,(H2,21,23,24).
What are the key properties of 4-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)amino]benzenesulfonamide?
4-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)amino]benzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)amino]benzenesulfonamide is sourced from PubChem (CID 174776190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).