N-(2-chloro-5-sulfamoylphenyl)propanamide

C9H11ClN2O3S — CID 61130694

IUPACN-(2-chloro-5-sulfamoylphenyl)propanamide
SMILESCCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C9H11ClN2O3S/c1-2-9(13)12-8-5-6(16(11,14)15)3-4-7(8)10/h3-5H,2H2,1H3,(H,12,13)(H2,11,14,15)
InChIKeyMUBVSYPDDATGMK-UHFFFAOYSA-N
MW262.72 g/mol
LogP1.34
Rot. Bonds3

About N-(2-chloro-5-sulfamoylphenyl)propanamide

N-(2-chloro-5-sulfamoylphenyl)propanamide (PubChem CID 61130694) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is N-(2-chloro-5-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-5-sulfamoylphenyl)propanamide
PubChem CID61130694
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC NameN-(2-chloro-5-sulfamoylphenyl)propanamide
SMILESCCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C9H11ClN2O3S/c1-2-9(13)12-8-5-6(16(11,14)15)3-4-7(8)10/h3-5H,2H2,1H3,(H,12,13)(H2,11,14,15)
InChIKeyMUBVSYPDDATGMK-UHFFFAOYSA-N
XLogP1.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-5-sulfamoylphenyl)-2-ethoxyacetamide
CID 61130321
3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
CID 54924131
2-amino-N-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60849966
5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 43700521
N-(2-methyl-4-sulfamoylphenyl)propanamide
CID 43133967
N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852732
N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide
CID 103022178
2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569457
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 107568676
N-(2-chloro-5-sulfamoylphenyl)-2-cyclohexylacetamide
CID 61130512
4-chloro-3-(ethylsulfonylamino)benzenesulfonamide
CID 61132365
2-hydroxyethyl N-(2-chloro-5-sulfamoylphenyl)carbamate
CID 79345913

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-sulfamoylphenyl)propanamide?
The IUPAC name of N-(2-chloro-5-sulfamoylphenyl)propanamide (CID 61130694) is N-(2-chloro-5-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-(2-chloro-5-sulfamoylphenyl)propanamide?
The canonical SMILES for N-(2-chloro-5-sulfamoylphenyl)propanamide is CCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-sulfamoylphenyl)propanamide?
The InChIKey is MUBVSYPDDATGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c1-2-9(13)12-8-5-6(16(11,14)15)3-4-7(8)10/h3-5H,2H2,1H3,(H,12,13)(H2,11,14,15).
What are the key properties of N-(2-chloro-5-sulfamoylphenyl)propanamide?
N-(2-chloro-5-sulfamoylphenyl)propanamide has a molecular weight of 262.72 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-sulfamoylphenyl)propanamide is sourced from PubChem (CID 61130694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).