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

C10H14ClN3O3S — CID 54995930

IUPAC(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C10H14ClN3O3S/c1-6(12)10(15)13-9-5-7(3-4-8(9)11)14-18(2,16)17/h3-6,14H,12H2,1-2H3,(H,13,15)/t6-/m1/s1
InChIKeyVBFQHVYWHDPTCX-ZCFIWIBFSA-N
MW291.76 g/mol
LogP1.00
Rot. Bonds4

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

(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide (PubChem CID 54995930) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide
PubChem CID54995930
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C10H14ClN3O3S/c1-6(12)10(15)13-9-5-7(3-4-8(9)11)14-18(2,16)17/h3-6,14H,12H2,1-2H3,(H,13,15)/t6-/m1/s1
InChIKeyVBFQHVYWHDPTCX-ZCFIWIBFSA-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

2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide
CID 43706825
2-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]butanamide
CID 65225006
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 43711074
N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide
CID 115949813
(2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide
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2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
CID 119279638
N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide
CID 62999677
(E)-4-[2-chloro-5-(methanesulfonamido)anilino]-4-oxobut-2-enoic acid
CID 60942059
1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
CID 115452464
N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide
CID 43708221
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
(2R)-2-amino-N-[2-(methanesulfonamido)phenyl]propanamide;hydrochloride
CID 119278967

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide (CID 54995930) is (2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide is C[C@@H](N)C(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl.
What is the InChIKey of (2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide?
The InChIKey is VBFQHVYWHDPTCX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-6(12)10(15)13-9-5-7(3-4-8(9)11)14-18(2,16)17/h3-6,14H,12H2,1-2H3,(H,13,15)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide?
(2R)-2-amino-N-[2-chloro-5-(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 (2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 54995930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).