N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C25H27N3O5S2 — CID 99954159

IUPACN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)cc2)cc1C
InChIInChI=1S/C25H27N3O5S2/c1-17-6-7-21(15-18(17)2)27-34(30,31)22-10-8-20(9-11-22)26-35(32,33)23-12-13-24(19(3)16-23)28-14-4-5-25(28)29/h6-13,15-16,26-27H,4-5,14H2,1-3H3
InChIKeyCVMZNBMADQRCNO-UHFFFAOYSA-N
MW513.64 g/mol
LogP4.34
Rot. Bonds7

About N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 99954159) has the molecular formula C25H27N3O5S2 and a molecular weight of 513.64 g/mol. Its IUPAC name is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID99954159
Molecular FormulaC25H27N3O5S2
Molecular Weight513.64 g/mol
Exact Mass513.14
IUPAC NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)cc2)cc1C
InChIInChI=1S/C25H27N3O5S2/c1-17-6-7-21(15-18(17)2)27-34(30,31)22-10-8-20(9-11-22)26-35(32,33)23-12-13-24(19(3)16-23)28-14-4-5-25(28)29/h6-13,15-16,26-27H,4-5,14H2,1-3H3
InChIKeyCVMZNBMADQRCNO-UHFFFAOYSA-N
XLogP4.34
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.64
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide with MolForge

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Related Compounds

3-methyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92671612
4-N,4-N-dimethyl-1-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzene-1,4-disulfonamide
CID 24602878
2,4,5-trimethyl-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636155
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7635815
methyl 4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoate
CID 92686187
3-fluoro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635821
6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 100540031
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 7636178
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7636383
2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitrobenzenesulfonamide
CID 7635830
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 25420136
4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635998

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 99954159) is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)cc2)cc1C.
What is the InChIKey of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is CVMZNBMADQRCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S2/c1-17-6-7-21(15-18(17)2)27-34(30,31)22-10-8-20(9-11-22)26-35(32,33)23-12-13-24(19(3)16-23)28-14-4-5-25(28)29/h6-13,15-16,26-27H,4-5,14H2,1-3H3.
What are the key properties of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 513.64 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 99954159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).