tert-butyl N-[4-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]carbamate

C23H25ClN4O4S — CID 154674693

IUPACtert-butyl N-[4-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]carbamate
SMILESCc1cccc(C)c1-c1nc(NS(=O)(=O)c2ccnc(NC(=O)OC(C)(C)C)c2)ccc1Cl
InChIInChI=1S/C23H25ClN4O4S/c1-14-7-6-8-15(2)20(14)21-17(24)9-10-18(26-21)28-33(30,31)16-11-12-25-19(13-16)27-22(29)32-23(3,4)5/h6-13H,1-5H3,(H,26,28)(H,25,27,29)
InChIKeyGAJBSCBJLIOXMF-UHFFFAOYSA-N
MW489.00 g/mol
LogP5.56
Rot. Bonds5

About tert-butyl N-[4-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]carbamate

tert-butyl N-[4-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]carbamate (PubChem CID 154674693) has the molecular formula C23H25ClN4O4S and a molecular weight of 489.00 g/mol. Its IUPAC name is tert-butyl N-[4-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]carbamate
PubChem CID154674693
Molecular FormulaC23H25ClN4O4S
Molecular Weight489.00 g/mol
Exact Mass488.13
IUPAC Nametert-butyl N-[4-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]carbamate
SMILESCc1cccc(C)c1-c1nc(NS(=O)(=O)c2ccnc(NC(=O)OC(C)(C)C)c2)ccc1Cl
InChIInChI=1S/C23H25ClN4O4S/c1-14-7-6-8-15(2)20(14)21-17(24)9-10-18(26-21)28-33(30,31)16-11-12-25-19(13-16)27-22(29)32-23(3,4)5/h6-13H,1-5H3,(H,26,28)(H,25,27,29)
InChIKeyGAJBSCBJLIOXMF-UHFFFAOYSA-N
XLogP5.56
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.00
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[3-[(2-methylsulfonylpyrimidin-4-yl)amino]phenyl]carbamate
CID 150214070
2-amino-N-[5-chloro-6-(4-cyano-2-methylphenyl)-2-pyridinyl]pyridine-4-sulfonamide
CID 134306540
tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate
CID 173234410
tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate
CID 172639114
tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
CID 173186178
5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide
CID 116798900
tert-butyl N-[(3,4-dichlorophenyl)sulfonylamino]carbamate
CID 8500952
4-amino-N-(2-chloropyrimidin-4-yl)-3-methylbenzenesulfonamide
CID 116794691
4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 134306514
tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate
CID 123779338
tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate
CID 118989818
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]carbamate (CID 154674693) is tert-butyl N-[4-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]carbamate is Cc1cccc(C)c1-c1nc(NS(=O)(=O)c2ccnc(NC(=O)OC(C)(C)C)c2)ccc1Cl.
What is the InChIKey of tert-butyl N-[4-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]carbamate?
The InChIKey is GAJBSCBJLIOXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4S/c1-14-7-6-8-15(2)20(14)21-17(24)9-10-18(26-21)28-33(30,31)16-11-12-25-19(13-16)27-22(29)32-23(3,4)5/h6-13H,1-5H3,(H,26,28)(H,25,27,29).
What are the key properties of tert-butyl N-[4-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]carbamate?
tert-butyl N-[4-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]carbamate has a molecular weight of 489.00 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 154674693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).