3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide

C10H14ClN3O3S — CID 62726620

IUPAC3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide
SMILESCC(CCl)C(=O)Nc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C10H14ClN3O3S/c1-7(6-11)10(15)13-8-3-2-4-9(5-8)14-18(12,16)17/h2-5,7,14H,6H2,1H3,(H,13,15)(H2,12,16,17)
InChIKeyWELJRGAUBBQMAH-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.12
Rot. Bonds5

About 3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide

3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide (PubChem CID 62726620) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide
PubChem CID62726620
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide
SMILESCC(CCl)C(=O)Nc1cccc(NS(N)(=O)=O)c1
InChIInChI=1S/C10H14ClN3O3S/c1-7(6-11)10(15)13-8-3-2-4-9(5-8)14-18(12,16)17/h2-5,7,14H,6H2,1H3,(H,13,15)(H2,12,16,17)
InChIKeyWELJRGAUBBQMAH-UHFFFAOYSA-N
XLogP1.12
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 61128214
3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55110486
N-[3-(carbamoylamino)phenyl]-3-chloro-2-methylpropanamide
CID 55110387
N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide
CID 62728455
N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 62726652
2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 65225216
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide
CID 43062359
3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide
CID 61250335
3-chloro-N-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
CID 62727196
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide?
The IUPAC name of 3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide (CID 62726620) is 3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide is CC(CCl)C(=O)Nc1cccc(NS(N)(=O)=O)c1.
What is the InChIKey of 3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide?
The InChIKey is WELJRGAUBBQMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-7(6-11)10(15)13-8-3-2-4-9(5-8)14-18(12,16)17/h2-5,7,14H,6H2,1H3,(H,13,15)(H2,12,16,17).
What are the key properties of 3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide?
3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide has a molecular weight of 291.76 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide is sourced from PubChem (CID 62726620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).