N-(2-chlorophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C17H20ClN3O3S — CID 20945140

IUPACN-(2-chlorophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCc1[nH]c(C)c(S(=O)(=O)Nc2ccccc2Cl)c1C(=O)N1CCCC1
InChIInChI=1S/C17H20ClN3O3S/c1-11-15(17(22)21-9-5-6-10-21)16(12(2)19-11)25(23,24)20-14-8-4-3-7-13(14)18/h3-4,7-8,19-20H,5-6,9-10H2,1-2H3
InChIKeyQREFUZPXNPBVRQ-UHFFFAOYSA-N
MW381.89 g/mol
LogP3.32
Rot. Bonds4

About N-(2-chlorophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-(2-chlorophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 20945140) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID20945140
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC NameN-(2-chlorophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCc1[nH]c(C)c(S(=O)(=O)Nc2ccccc2Cl)c1C(=O)N1CCCC1
InChIInChI=1S/C17H20ClN3O3S/c1-11-15(17(22)21-9-5-6-10-21)16(12(2)19-11)25(23,24)20-14-8-4-3-7-13(14)18/h3-4,7-8,19-20H,5-6,9-10H2,1-2H3
InChIKeyQREFUZPXNPBVRQ-UHFFFAOYSA-N
XLogP3.32
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 20945140) is N-(2-chlorophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is Cc1[nH]c(C)c(S(=O)(=O)Nc2ccccc2Cl)c1C(=O)N1CCCC1.
What is the InChIKey of N-(2-chlorophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is QREFUZPXNPBVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-11-15(17(22)21-9-5-6-10-21)16(12(2)19-11)25(23,24)20-14-8-4-3-7-13(14)18/h3-4,7-8,19-20H,5-6,9-10H2,1-2H3.
What are the key properties of N-(2-chlorophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-(2-chlorophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 381.89 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 20945140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).