5,7-dichloro-4-[(4-methylphenyl)sulfonylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide

C18H13Cl2N7O3S — CID 142635728

IUPAC5,7-dichloro-4-[(4-methylphenyl)sulfonylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3nn[nH]n3)nc3cc(Cl)cc(Cl)c23)cc1
InChIInChI=1S/C18H13Cl2N7O3S/c1-9-2-4-11(5-3-9)31(29,30)25-14-8-15(17(28)22-18-23-26-27-24-18)21-13-7-10(19)6-12(20)16(13)14/h2-8H,1H3,(H,21,25)(H2,22,23,24,26,27,28)
InChIKeyLQVZOYUSLXUMBY-UHFFFAOYSA-N
MW478.32 g/mol
LogP3.42
Rot. Bonds5

About 5,7-dichloro-4-[(4-methylphenyl)sulfonylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide

5,7-dichloro-4-[(4-methylphenyl)sulfonylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide (PubChem CID 142635728) has the molecular formula C18H13Cl2N7O3S and a molecular weight of 478.32 g/mol. Its IUPAC name is 5,7-dichloro-4-[(4-methylphenyl)sulfonylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name5,7-dichloro-4-[(4-methylphenyl)sulfonylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide
PubChem CID142635728
Molecular FormulaC18H13Cl2N7O3S
Molecular Weight478.32 g/mol
Exact Mass477.02
IUPAC Name5,7-dichloro-4-[(4-methylphenyl)sulfonylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3nn[nH]n3)nc3cc(Cl)cc(Cl)c23)cc1
InChIInChI=1S/C18H13Cl2N7O3S/c1-9-2-4-11(5-3-9)31(29,30)25-14-8-15(17(28)22-18-23-26-27-24-18)21-13-7-10(19)6-12(20)16(13)14/h2-8H,1H3,(H,21,25)(H2,22,23,24,26,27,28)
InChIKeyLQVZOYUSLXUMBY-UHFFFAOYSA-N
XLogP3.42
TPSA142.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.32
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide
CID 25048371
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370119
CID 70476554
CID 70476554
CID 70545917
CID 70545917
4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide
CID 21426371
6-(4-chlorophenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 12784865
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99954541
4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 46830882
methyl 4-[3-bromopropyl-(4-methylphenyl)sulfonylamino]-5,7-dichloroquinoline-2-carboxylate
CID 142635736
4-(benzenesulfonamido)-N-methylquinoline-2-carboxamide
CID 154447368
N-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylbenzenesulfonamide
CID 110190709
N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169373284

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-[(4-methylphenyl)sulfonylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide?
The IUPAC name of 5,7-dichloro-4-[(4-methylphenyl)sulfonylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide (CID 142635728) is 5,7-dichloro-4-[(4-methylphenyl)sulfonylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide.
What is the SMILES notation for 5,7-dichloro-4-[(4-methylphenyl)sulfonylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide?
The canonical SMILES for 5,7-dichloro-4-[(4-methylphenyl)sulfonylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3nn[nH]n3)nc3cc(Cl)cc(Cl)c23)cc1.
What is the InChIKey of 5,7-dichloro-4-[(4-methylphenyl)sulfonylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide?
The InChIKey is LQVZOYUSLXUMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N7O3S/c1-9-2-4-11(5-3-9)31(29,30)25-14-8-15(17(28)22-18-23-26-27-24-18)21-13-7-10(19)6-12(20)16(13)14/h2-8H,1H3,(H,21,25)(H2,22,23,24,26,27,28).
What are the key properties of 5,7-dichloro-4-[(4-methylphenyl)sulfonylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide?
5,7-dichloro-4-[(4-methylphenyl)sulfonylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide has a molecular weight of 478.32 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-[(4-methylphenyl)sulfonylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide is sourced from PubChem (CID 142635728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).