3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide

C10H14ClN3O3S — CID 54924131

IUPAC3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
SMILESCC(N)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C10H14ClN3O3S/c1-6(12)4-10(15)14-9-5-7(18(13,16)17)2-3-8(9)11/h2-3,5-6H,4,12H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyUMMWVCZVZSAMPR-UHFFFAOYSA-N
MW291.76 g/mol
LogP0.66
Rot. Bonds4

About 3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide

3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide (PubChem CID 54924131) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
PubChem CID54924131
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
SMILESCC(N)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C10H14ClN3O3S/c1-6(12)4-10(15)14-9-5-7(18(13,16)17)2-3-8(9)11/h2-3,5-6H,4,12H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyUMMWVCZVZSAMPR-UHFFFAOYSA-N
XLogP0.66
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 54924414
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852732
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide
CID 61178070
N-(2-chloro-5-sulfamoylphenyl)-2-ethoxyacetamide
CID 61130321
4-amino-N-(2-chloro-5-methylsulfonylphenyl)-3-methylbutanamide
CID 81076001
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 107568676
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-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide
CID 103022178
2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569457
2-(2-chloro-5-sulfamoylanilino)propanoic acid
CID 66174535

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide?
The IUPAC name of 3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide (CID 54924131) is 3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide.
What is the SMILES notation for 3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide?
The canonical SMILES for 3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide is CC(N)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of 3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide?
The InChIKey is UMMWVCZVZSAMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-6(12)4-10(15)14-9-5-7(18(13,16)17)2-3-8(9)11/h2-3,5-6H,4,12H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide?
3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide has a molecular weight of 291.76 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide is sourced from PubChem (CID 54924131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).