2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide

C12H18ClN3O3S — CID 43706825

IUPAC2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C12H18ClN3O3S/c1-3-4-10(14)12(17)15-11-7-8(5-6-9(11)13)16-20(2,18)19/h5-7,10,16H,3-4,14H2,1-2H3,(H,15,17)
InChIKeyBCXWSUBRAHQHCN-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.78
Rot. Bonds6

About 2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide

2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide (PubChem CID 43706825) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide
PubChem CID43706825
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C12H18ClN3O3S/c1-3-4-10(14)12(17)15-11-7-8(5-6-9(11)13)16-20(2,18)19/h5-7,10,16H,3-4,14H2,1-2H3,(H,15,17)
InChIKeyBCXWSUBRAHQHCN-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide
CID 54995930
2-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]butanamide
CID 65225006
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 107568676
3-[[(2S)-2-aminopentanoyl]amino]-4-chlorobenzoic acid
CID 103869558
(2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide
CID 107569473
N-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide
CID 43708281
5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
CID 107568557
2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide
CID 103827501
N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide
CID 115949813
(2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 79025267
(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680682
2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680705

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide?
The IUPAC name of 2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide (CID 43706825) is 2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide is CCCC(N)C(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl.
What is the InChIKey of 2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide?
The InChIKey is BCXWSUBRAHQHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-3-4-10(14)12(17)15-11-7-8(5-6-9(11)13)16-20(2,18)19/h5-7,10,16H,3-4,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide?
2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide has a molecular weight of 319.81 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide is sourced from PubChem (CID 43706825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).