5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride

C14H21ClN4O4S — CID 119453672

IUPAC5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NC2CCNC2)c1.Cl
InChIInChI=1S/C14H20N4O4S.ClH/c1-9(19)16-10-3-4-13(18-23(2,21)22)12(7-10)14(20)17-11-5-6-15-8-11;/h3-4,7,11,15,18H,5-6,8H2,1-2H3,(H,16,19)(H,17,20);1H
InChIKeyPNLBHVLTACPNPA-UHFFFAOYSA-N
MW376.87 g/mol
LogP0.53
Rot. Bonds5

About 5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride

5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119453672) has the molecular formula C14H21ClN4O4S and a molecular weight of 376.87 g/mol. Its IUPAC name is 5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119453672
Molecular FormulaC14H21ClN4O4S
Molecular Weight376.87 g/mol
Exact Mass376.10
IUPAC Name5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NC2CCNC2)c1.Cl
InChIInChI=1S/C14H20N4O4S.ClH/c1-9(19)16-10-3-4-13(18-23(2,21)22)12(7-10)14(20)17-11-5-6-15-8-11;/h3-4,7,11,15,18H,5-6,8H2,1-2H3,(H,16,19)(H,17,20);1H
InChIKeyPNLBHVLTACPNPA-UHFFFAOYSA-N
XLogP0.53
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-(methanesulfonamido)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424450
5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide
CID 119424734
3-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 56513830
5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
CID 56515740
5-acetamido-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(methanesulfonamido)benzamide
CID 56579538
2-(methanesulfonamido)-5-methyl-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601210
5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride
CID 119643324
5-acetamido-N-[3-(azepan-1-yl)propyl]-2-(methanesulfonamido)benzamide
CID 56579751
5-acetamido-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-(methanesulfonamido)benzamide
CID 56579249
4-acetamido-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385704
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide
CID 56516304
dimethyl 5-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]benzene-1,3-dicarboxylate
CID 56515538

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119453672) is 5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride is CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NC2CCNC2)c1.Cl.
What is the InChIKey of 5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is PNLBHVLTACPNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S.ClH/c1-9(19)16-10-3-4-13(18-23(2,21)22)12(7-10)14(20)17-11-5-6-15-8-11;/h3-4,7,11,15,18H,5-6,8H2,1-2H3,(H,16,19)(H,17,20);1H.
What are the key properties of 5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 376.87 g/mol, XLogP of 0.53, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-(methanesulfonamido)-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119453672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).