N-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide

C12H16ClN3O3S — CID 61365224

IUPACN-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NC(=O)CC2CCCN2)c1
InChIInChI=1S/C12H16ClN3O3S/c13-10-4-3-9(20(14,18)19)7-11(10)16-12(17)6-8-2-1-5-15-8/h3-4,7-8,15H,1-2,5-6H2,(H,16,17)(H2,14,18,19)
InChIKeyXWNYRJUPEQTDCL-UHFFFAOYSA-N
MW317.80 g/mol
LogP1.07
Rot. Bonds4

About N-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide

N-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 61365224) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is N-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide
PubChem CID61365224
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC NameN-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NC(=O)CC2CCCN2)c1
InChIInChI=1S/C12H16ClN3O3S/c13-10-4-3-9(20(14,18)19)7-11(10)16-12(17)6-8-2-1-5-15-8/h3-4,7-8,15H,1-2,5-6H2,(H,16,17)(H2,14,18,19)
InChIKeyXWNYRJUPEQTDCL-UHFFFAOYSA-N
XLogP1.07
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-5-sulfamoylphenyl)-2-cyclohexylacetamide
CID 61130512
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119689597
N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide
CID 81270551
N-(2-methyl-3-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61365433
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
N-(2-chloro-5-sulfamoylphenyl)cyclobutanecarboxamide
CID 61131077
5-chloro-2-[(2-pyrrolidin-2-ylacetyl)amino]benzoic acid
CID 61365655
N-(4-chloro-3-fluorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708349
4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide
CID 79541051
N-(2-bromophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371785
2-amino-N-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60849966
5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 43700521

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide (CID 61365224) is N-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide is NS(=O)(=O)c1ccc(Cl)c(NC(=O)CC2CCCN2)c1.
What is the InChIKey of N-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is XWNYRJUPEQTDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c13-10-4-3-9(20(14,18)19)7-11(10)16-12(17)6-8-2-1-5-15-8/h3-4,7-8,15H,1-2,5-6H2,(H,16,17)(H2,14,18,19).
What are the key properties of N-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide?
N-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 317.80 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61365224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).