2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide

C18H14Cl2N2O3S — CID 110166706

IUPAC2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(=O)c1cc(-n2cccc2)ccc1Cl
InChIInChI=1S/C18H14Cl2N2O3S/c1-12-15(19)5-4-6-17(12)26(24,25)21-18(23)14-11-13(7-8-16(14)20)22-9-2-3-10-22/h2-11H,1H3,(H,21,23)
InChIKeyLTMRNZYJVQWQGL-UHFFFAOYSA-N
MW409.29 g/mol
LogP4.21
Rot. Bonds4

About 2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide

2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide (PubChem CID 110166706) has the molecular formula C18H14Cl2N2O3S and a molecular weight of 409.29 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide
PubChem CID110166706
Molecular FormulaC18H14Cl2N2O3S
Molecular Weight409.29 g/mol
Exact Mass408.01
IUPAC Name2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(=O)c1cc(-n2cccc2)ccc1Cl
InChIInChI=1S/C18H14Cl2N2O3S/c1-12-15(19)5-4-6-17(12)26(24,25)21-18(23)14-11-13(7-8-16(14)20)22-9-2-3-10-22/h2-11H,1H3,(H,21,23)
InChIKeyLTMRNZYJVQWQGL-UHFFFAOYSA-N
XLogP4.21
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide
CID 110166689
N-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide
CID 155988731
N-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide
CID 110166691
N-(3-chloro-2-methylphenyl)sulfonyl-3-fluoro-2-(4-methylphenoxy)benzamide
CID 110165961
N-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110166697
methyl 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 87026690
N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide
CID 110077573
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 65314246
(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79010898
N-[2-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 39621833
N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 60532816
N-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide
CID 110166914

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide?
The IUPAC name of 2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide (CID 110166706) is 2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide?
The canonical SMILES for 2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide is Cc1c(Cl)cccc1S(=O)(=O)NC(=O)c1cc(-n2cccc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide?
The InChIKey is LTMRNZYJVQWQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3S/c1-12-15(19)5-4-6-17(12)26(24,25)21-18(23)14-11-13(7-8-16(14)20)22-9-2-3-10-22/h2-11H,1H3,(H,21,23).
What are the key properties of 2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide?
2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide has a molecular weight of 409.29 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110166706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).