N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide

C21H21N3O5S2 — CID 40795878

IUPACN-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C21H21N3O5S2/c25-21(16-4-3-5-19(14-16)24-11-1-2-12-24)22-17-6-8-20(9-7-17)31(28,29)23-18-10-13-30(26,27)15-18/h1-9,11-12,14,18,23H,10,13,15H2,(H,22,25)/t18-/m1/s1
InChIKeyCGTXPBALIOOKOH-GOSISDBHSA-N
MW459.55 g/mol
LogP2.19
Rot. Bonds6

About N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide

N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide (PubChem CID 40795878) has the molecular formula C21H21N3O5S2 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide
PubChem CID40795878
Molecular FormulaC21H21N3O5S2
Molecular Weight459.55 g/mol
Exact Mass459.09
IUPAC NameN-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C21H21N3O5S2/c25-21(16-4-3-5-19(14-16)24-11-1-2-12-24)22-17-6-8-20(9-7-17)31(28,29)23-18-10-13-30(26,27)15-18/h1-9,11-12,14,18,23H,10,13,15H2,(H,22,25)/t18-/m1/s1
InChIKeyCGTXPBALIOOKOH-GOSISDBHSA-N
XLogP2.19
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,5-dimethylpyrrol-1-yl)-N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]benzamide
CID 40796098
N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24598177
4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26002695
N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide
CID 60605662
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075154
3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide
CID 25329934
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide
CID 24536263
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoic acid
CID 2858778
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide
CID 24571136
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 22829683
N-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide
CID 43055240

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide (CID 40795878) is N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide is O=C(Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide?
The InChIKey is CGTXPBALIOOKOH-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21N3O5S2/c25-21(16-4-3-5-19(14-16)24-11-1-2-12-24)22-17-6-8-20(9-7-17)31(28,29)23-18-10-13-30(26,27)15-18/h1-9,11-12,14,18,23H,10,13,15H2,(H,22,25)/t18-/m1/s1.
What are the key properties of N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide?
N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide has a molecular weight of 459.55 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 40795878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).