2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide

C18H15Cl2N3O3S — CID 55480384

IUPAC2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESN#Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)ccc1Cl
InChIInChI=1S/C18H15Cl2N3O3S/c19-16-5-3-13(9-12(16)11-21)22-18(24)15-10-14(4-6-17(15)20)27(25,26)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8H2,(H,22,24)
InChIKeyHKOVBMJVRAHPNX-UHFFFAOYSA-N
MW424.31 g/mol
LogP3.90
Rot. Bonds4

About 2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide

2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55480384) has the molecular formula C18H15Cl2N3O3S and a molecular weight of 424.31 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55480384
Molecular FormulaC18H15Cl2N3O3S
Molecular Weight424.31 g/mol
Exact Mass423.02
IUPAC Name2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESN#Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)ccc1Cl
InChIInChI=1S/C18H15Cl2N3O3S/c19-16-5-3-13(9-12(16)11-21)22-18(24)15-10-14(4-6-17(15)20)27(25,26)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8H2,(H,22,24)
InChIKeyHKOVBMJVRAHPNX-UHFFFAOYSA-N
XLogP3.90
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-5-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 38238302
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
4-(azepan-1-ylsulfonyl)-N-(3-chloro-4-cyanophenyl)benzamide
CID 8923382
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26822918
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
5-(azepan-1-ylsulfonyl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide
CID 46387461
2-chloro-N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26364818
2-chloro-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882584
2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 1381657
N-(4-chloro-3-cyanophenyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide
CID 55481048

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 55480384) is 2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is N#Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is HKOVBMJVRAHPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3S/c19-16-5-3-13(9-12(16)11-21)22-18(24)15-10-14(4-6-17(15)20)27(25,26)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8H2,(H,22,24).
What are the key properties of 2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 424.31 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55480384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).