2-chloro-N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]benzenesulfonamide

C28H29ClN2O5S — CID 15958414

IUPAC2-chloro-N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4ccccc4Cl)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C28H29ClN2O5S/c1-35-25-14-13-19(15-26(25)36-23-9-2-3-10-23)20-16-28(32)31(18-20)22-8-6-7-21(17-22)30-37(33,34)27-12-5-4-11-24(27)29/h4-8,11-15,17,20,23,30H,2-3,9-10,16,18H2,1H3/t20-/m0/s1
InChIKeyLTXYSUKJQIFLEB-FQEVSTJZSA-N
MW541.07 g/mol
LogP5.99
Rot. Bonds8

About 2-chloro-N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]benzenesulfonamide

2-chloro-N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]benzenesulfonamide (PubChem CID 15958414) has the molecular formula C28H29ClN2O5S and a molecular weight of 541.07 g/mol. Its IUPAC name is 2-chloro-N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]benzenesulfonamide
PubChem CID15958414
Molecular FormulaC28H29ClN2O5S
Molecular Weight541.07 g/mol
Exact Mass540.15
IUPAC Name2-chloro-N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4ccccc4Cl)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C28H29ClN2O5S/c1-35-25-14-13-19(15-26(25)36-23-9-2-3-10-23)20-16-28(32)31(18-20)22-8-6-7-21(17-22)30-37(33,34)27-12-5-4-11-24(27)29/h4-8,11-15,17,20,23,30H,2-3,9-10,16,18H2,1H3/t20-/m0/s1
InChIKeyLTXYSUKJQIFLEB-FQEVSTJZSA-N
XLogP5.99
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.07
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]benzenesulfonamide (CID 15958414) is 2-chloro-N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]benzenesulfonamide is COc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4ccccc4Cl)c3)C2)cc1OC1CCCC1.
What is the InChIKey of 2-chloro-N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]benzenesulfonamide?
The InChIKey is LTXYSUKJQIFLEB-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H29ClN2O5S/c1-35-25-14-13-19(15-26(25)36-23-9-2-3-10-23)20-16-28(32)31(18-20)22-8-6-7-21(17-22)30-37(33,34)27-12-5-4-11-24(27)29/h4-8,11-15,17,20,23,30H,2-3,9-10,16,18H2,1H3/t20-/m0/s1.
What are the key properties of 2-chloro-N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]benzenesulfonamide?
2-chloro-N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]benzenesulfonamide has a molecular weight of 541.07 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 15958414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).