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

C13H20ClN3O3S — CID 43711077

IUPAC2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C13H20ClN3O3S/c1-4-8(2)12(15)13(18)16-9-5-6-11(10(14)7-9)17-21(3,19)20/h5-8,12,17H,4,15H2,1-3H3,(H,16,18)
InChIKeyAFPGTJWSEIBTHU-UHFFFAOYSA-N
MW333.84 g/mol
LogP2.02
Rot. Bonds6

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

2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide (PubChem CID 43711077) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide
PubChem CID43711077
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C13H20ClN3O3S/c1-4-8(2)12(15)13(18)16-9-5-6-11(10(14)7-9)17-21(3,19)20/h5-8,12,17H,4,15H2,1-3H3,(H,16,18)
InChIKeyAFPGTJWSEIBTHU-UHFFFAOYSA-N
XLogP2.02
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 43711074
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide
CID 62855661
(2S)-2-amino-N-[4-(methanesulfonamido)phenyl]-3-methylpentanamide
CID 61173370
(2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide
CID 103928886
N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide
CID 47030973
3-(aminomethyl)-N-[3-chloro-4-(methanesulfonamido)phenyl]pentanamide
CID 81070770
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-chlorobenzoic acid
CID 61399074
2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
CID 24707805
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000
4-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 81076100
(2S,3S)-2-amino-3-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148897

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide (CID 43711077) is 2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of 2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide?
The InChIKey is AFPGTJWSEIBTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-4-8(2)12(15)13(18)16-9-5-6-11(10(14)7-9)17-21(3,19)20/h5-8,12,17H,4,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide?
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide has a molecular weight of 333.84 g/mol, XLogP of 2.02, 6 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]-3-methylpentanamide is sourced from PubChem (CID 43711077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).