N-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide

C19H24ClN3O3S — CID 53068661

IUPACN-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCc1c(S(=O)(=O)NCc2ccccc2Cl)cc(C(=O)N2CCCCC2)n1C
InChIInChI=1S/C19H24ClN3O3S/c1-14-18(27(25,26)21-13-15-8-4-5-9-16(15)20)12-17(22(14)2)19(24)23-10-6-3-7-11-23/h4-5,8-9,12,21H,3,6-7,10-11,13H2,1-2H3
InChIKeyXLZUYJYLLWDGER-UHFFFAOYSA-N
MW409.94 g/mol
LogP3.09
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide

N-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide (PubChem CID 53068661) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
PubChem CID53068661
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC NameN-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
SMILESCc1c(S(=O)(=O)NCc2ccccc2Cl)cc(C(=O)N2CCCCC2)n1C
InChIInChI=1S/C19H24ClN3O3S/c1-14-18(27(25,26)21-13-15-8-4-5-9-16(15)20)12-17(22(14)2)19(24)23-10-6-3-7-11-23/h4-5,8-9,12,21H,3,6-7,10-11,13H2,1-2H3
InChIKeyXLZUYJYLLWDGER-UHFFFAOYSA-N
XLogP3.09
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 53068713
1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 53068635
5-(azepane-1-carbonyl)-N-benzyl-2-chlorobenzenesulfonamide
CID 9314912
(1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone
CID 53068726
N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063280
ethyl 3-[[1,2-dimethyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylamino]benzoate
CID 53006312
2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183101
1-(azepan-1-yl)-2-[(2-chlorophenyl)methylamino]propan-1-one
CID 43087131
N-[(2-methoxyphenyl)methyl]-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068896
4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide
CID 109047312
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 53006313

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide (CID 53068661) is N-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide is Cc1c(S(=O)(=O)NCc2ccccc2Cl)cc(C(=O)N2CCCCC2)n1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide?
The InChIKey is XLZUYJYLLWDGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c1-14-18(27(25,26)21-13-15-8-4-5-9-16(15)20)12-17(22(14)2)19(24)23-10-6-3-7-11-23/h4-5,8-9,12,21H,3,6-7,10-11,13H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide?
N-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide has a molecular weight of 409.94 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 53068661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).