N-(4-chlorophenyl)sulfonyl-N-[[4-(cyclopropylmethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide

C24H22ClN3O4S — CID 66930367

IUPACN-(4-chlorophenyl)sulfonyl-N-[[4-(cyclopropylmethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CC1)c1ccc(CN(C(=O)c2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22ClN3O4S/c25-20-10-12-21(13-11-20)33(31,32)28(24(30)22-3-1-2-14-26-22)16-18-6-8-19(9-7-18)23(29)27-15-17-4-5-17/h1-3,6-14,17H,4-5,15-16H2,(H,27,29)
InChIKeyMRQSOVRGSWXBRY-UHFFFAOYSA-N
MW483.98 g/mol
LogP3.91
Rot. Bonds8

About N-(4-chlorophenyl)sulfonyl-N-[[4-(cyclopropylmethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide

N-(4-chlorophenyl)sulfonyl-N-[[4-(cyclopropylmethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 66930367) has the molecular formula C24H22ClN3O4S and a molecular weight of 483.98 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-N-[[4-(cyclopropylmethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-N-[[4-(cyclopropylmethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID66930367
Molecular FormulaC24H22ClN3O4S
Molecular Weight483.98 g/mol
Exact Mass483.10
IUPAC NameN-(4-chlorophenyl)sulfonyl-N-[[4-(cyclopropylmethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CC1)c1ccc(CN(C(=O)c2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22ClN3O4S/c25-20-10-12-21(13-11-20)33(31,32)28(24(30)22-3-1-2-14-26-22)16-18-6-8-19(9-7-18)23(29)27-15-17-4-5-17/h1-3,6-14,17H,4-5,15-16H2,(H,27,29)
InChIKeyMRQSOVRGSWXBRY-UHFFFAOYSA-N
XLogP3.91
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-N-[[4-(cyclopropylmethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-N-[[4-(cyclopropylmethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide (CID 66930367) is N-(4-chlorophenyl)sulfonyl-N-[[4-(cyclopropylmethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-N-[[4-(cyclopropylmethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-N-[[4-(cyclopropylmethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide is O=C(NCC1CC1)c1ccc(CN(C(=O)c2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-N-[[4-(cyclopropylmethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is MRQSOVRGSWXBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4S/c25-20-10-12-21(13-11-20)33(31,32)28(24(30)22-3-1-2-14-26-22)16-18-6-8-19(9-7-18)23(29)27-15-17-4-5-17/h1-3,6-14,17H,4-5,15-16H2,(H,27,29).
What are the key properties of N-(4-chlorophenyl)sulfonyl-N-[[4-(cyclopropylmethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide?
N-(4-chlorophenyl)sulfonyl-N-[[4-(cyclopropylmethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 483.98 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-N-[[4-(cyclopropylmethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 66930367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).