N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide

C19H17ClN2O3S — CID 110166689

IUPACN-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)c2cccc(Cl)c2C)cc1-n1cccc1
InChIInChI=1S/C19H17ClN2O3S/c1-13-8-9-15(12-17(13)22-10-3-4-11-22)19(23)21-26(24,25)18-7-5-6-16(20)14(18)2/h3-12H,1-2H3,(H,21,23)
InChIKeyOGBSFRULUXUFCZ-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.87
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide

N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide (PubChem CID 110166689) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide
PubChem CID110166689
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC NameN-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)NS(=O)(=O)c2cccc(Cl)c2C)cc1-n1cccc1
InChIInChI=1S/C19H17ClN2O3S/c1-13-8-9-15(12-17(13)22-10-3-4-11-22)19(23)21-26(24,25)18-7-5-6-16(20)14(18)2/h3-12H,1-2H3,(H,21,23)
InChIKeyOGBSFRULUXUFCZ-UHFFFAOYSA-N
XLogP3.87
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide
CID 110166914
2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide
CID 110166706
4-methyl-3-pyrrol-1-yl-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166762
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-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 30138754
N-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110166697
4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide
CID 18156699
3-methyl-4-pyrrol-1-yl-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166763
ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate
CID 43042123
4-methyl-3-pyrrol-1-ylbenzamide
CID 91674702
N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 18138394

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide (CID 110166689) is N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide is Cc1ccc(C(=O)NS(=O)(=O)c2cccc(Cl)c2C)cc1-n1cccc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide?
The InChIKey is OGBSFRULUXUFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-13-8-9-15(12-17(13)22-10-3-4-11-22)19(23)21-26(24,25)18-7-5-6-16(20)14(18)2/h3-12H,1-2H3,(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide?
N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide has a molecular weight of 388.88 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110166689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).