N-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide

C16H16ClN3O2S2 — CID 53035527

IUPACN-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
SMILESCc1csc(-c2cc(S(=O)(=O)Nc3ccccc3Cl)c(C)n2C)n1
InChIInChI=1S/C16H16ClN3O2S2/c1-10-9-23-16(18-10)14-8-15(11(2)20(14)3)24(21,22)19-13-7-5-4-6-12(13)17/h4-9,19H,1-3H3
InChIKeyIJMHWYDVXOXSTP-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.22
Rot. Bonds4

About N-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide

N-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide (PubChem CID 53035527) has the molecular formula C16H16ClN3O2S2 and a molecular weight of 381.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
PubChem CID53035527
Molecular FormulaC16H16ClN3O2S2
Molecular Weight381.91 g/mol
Exact Mass381.04
IUPAC NameN-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
SMILESCc1csc(-c2cc(S(=O)(=O)Nc3ccccc3Cl)c(C)n2C)n1
InChIInChI=1S/C16H16ClN3O2S2/c1-10-9-23-16(18-10)14-8-15(11(2)20(14)3)24(21,22)19-13-7-5-4-6-12(13)17/h4-9,19H,1-3H3
InChIKeyIJMHWYDVXOXSTP-UHFFFAOYSA-N
XLogP4.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-6-methylphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53035513
N-(2,5-diethoxyphenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53104512
N-(2-chlorophenyl)-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114781
1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53035430
N-(4-chloro-2-methylphenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide
CID 53035535
N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide
CID 53035553
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methoxyphenyl)-1,2-dimethylpyrrole-3-sulfonamide
CID 53104415
1-(benzenesulfonyl)-N-(2-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide
CID 17247707
N-(2-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936284
5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide
CID 7938602
1,2-dimethyl-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)pyrrole-3-sulfonamide
CID 53114874
N-(2-chloro-4-methylphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
CID 50842174

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide (CID 53035527) is N-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide is Cc1csc(-c2cc(S(=O)(=O)Nc3ccccc3Cl)c(C)n2C)n1.
What is the InChIKey of N-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
The InChIKey is IJMHWYDVXOXSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S2/c1-10-9-23-16(18-10)14-8-15(11(2)20(14)3)24(21,22)19-13-7-5-4-6-12(13)17/h4-9,19H,1-3H3.
What are the key properties of N-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
N-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide has a molecular weight of 381.91 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 53035527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).