N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide

C12H18ClN3O3S — CID 60852732

IUPACN-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C12H18ClN3O3S/c1-8(2)15-6-5-12(17)16-11-7-9(20(14,18)19)3-4-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)(H2,14,18,19)
InChIKeyZFDWHDOGZPRMQW-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.31
Rot. Bonds6

About N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide

N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide (PubChem CID 60852732) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide
PubChem CID60852732
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC NameN-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C12H18ClN3O3S/c1-8(2)15-6-5-12(17)16-11-7-9(20(14,18)19)3-4-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)(H2,14,18,19)
InChIKeyZFDWHDOGZPRMQW-UHFFFAOYSA-N
XLogP1.31
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
CID 54924131
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 43700521
N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852166
N-(2-chloro-5-sulfamoylphenyl)-2-ethoxyacetamide
CID 61130321
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide
CID 61178070
2-amino-N-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60849966
N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide
CID 103022178
N-(2-chloro-5-sulfamoylphenyl)-2-cyclohexylacetamide
CID 61130512
2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569457
N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide
CID 54925056
N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 60852332

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide (CID 60852732) is N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is ZFDWHDOGZPRMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-8(2)15-6-5-12(17)16-11-7-9(20(14,18)19)3-4-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)(H2,14,18,19).
What are the key properties of N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide?
N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 319.81 g/mol, XLogP of 1.31, 6 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)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60852732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).