N-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride

C18H22ClN3O3S — CID 119745101

IUPACN-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)C1CCNC1
InChIInChI=1S/C18H21N3O3S.ClH/c22-18(15-10-11-19-12-15)20-13-14-6-4-5-9-17(14)21-25(23,24)16-7-2-1-3-8-16;/h1-9,15,19,21H,10-13H2,(H,20,22);1H
InChIKeyXPTVUNDYEGFKQM-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.13
Rot. Bonds6

About N-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride

N-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119745101) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119745101
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC NameN-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)C1CCNC1
InChIInChI=1S/C18H21N3O3S.ClH/c22-18(15-10-11-19-12-15)20-13-14-6-4-5-9-17(14)21-25(23,24)16-7-2-1-3-8-16;/h1-9,15,19,21H,10-13H2,(H,20,22);1H
InChIKeyXPTVUNDYEGFKQM-UHFFFAOYSA-N
XLogP2.13
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119301276
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CID 119679710
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
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N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119700344
N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736957
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005428
(3S)-N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 124591380
N-[(2-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006596
N-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 119794497

Frequently Asked Questions

What is the IUPAC name of N-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119745101) is N-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)C1CCNC1.
What is the InChIKey of N-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is XPTVUNDYEGFKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S.ClH/c22-18(15-10-11-19-12-15)20-13-14-6-4-5-9-17(14)21-25(23,24)16-7-2-1-3-8-16;/h1-9,15,19,21H,10-13H2,(H,20,22);1H.
What are the key properties of N-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 395.91 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119745101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).