2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide

C10H14ClN3O3S — CID 43711074

IUPAC2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(N)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C10H14ClN3O3S/c1-6(12)10(15)13-7-3-4-9(8(11)5-7)14-18(2,16)17/h3-6,14H,12H2,1-2H3,(H,13,15)
InChIKeyPRXYSEUIJDWYHU-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.00
Rot. Bonds4

About 2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide

2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide (PubChem CID 43711074) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
PubChem CID43711074
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(N)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C10H14ClN3O3S/c1-6(12)10(15)13-7-3-4-9(8(11)5-7)14-18(2,16)17/h3-6,14H,12H2,1-2H3,(H,13,15)
InChIKeyPRXYSEUIJDWYHU-UHFFFAOYSA-N
XLogP1.00
TPSA101.29 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 ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide
CID 103928886
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide
CID 43711077
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide
CID 62855661
(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide
CID 54995930
N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide
CID 47030973
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
4-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 81076100
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-[2-chloro-4-(propan-2-ylamino)phenyl]methanesulfonamide
CID 43744799
(2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide
CID 119317108
4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid
CID 78973494

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of 2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide (CID 43711074) is 2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for 2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for 2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide is CC(N)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of 2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide?
The InChIKey is PRXYSEUIJDWYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-6(12)10(15)13-7-3-4-9(8(11)5-7)14-18(2,16)17/h3-6,14H,12H2,1-2H3,(H,13,15).
What are the key properties of 2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide?
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide has a molecular weight of 291.76 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 43711074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).