2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide

C10H14ClN3O3S — CID 115540069

IUPAC2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
SMILESCS(=O)(=O)NCCNC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C10H14ClN3O3S/c1-18(16,17)14-6-5-13-10(15)7-3-2-4-8(11)9(7)12/h2-4,14H,5-6,12H2,1H3,(H,13,15)
InChIKeyXLBYIWHCJBKMSW-UHFFFAOYSA-N
MW291.76 g/mol
LogP0.20
Rot. Bonds5

About 2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide

2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide (PubChem CID 115540069) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
PubChem CID115540069
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
SMILESCS(=O)(=O)NCCNC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C10H14ClN3O3S/c1-18(16,17)14-6-5-13-10(15)7-3-2-4-8(11)9(7)12/h2-4,14H,5-6,12H2,1H3,(H,13,15)
InChIKeyXLBYIWHCJBKMSW-UHFFFAOYSA-N
XLogP0.20
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 80503191
2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
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2-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 113331749
3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide
CID 61209537
3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
CID 66464224
2-hydroxy-N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 43420679
2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide
CID 82546908
2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 115540177
N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide
CID 74240949
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide
CID 114167051
2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308339
2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide
CID 115540134

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide?
The IUPAC name of 2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide (CID 115540069) is 2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide?
The canonical SMILES for 2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide is CS(=O)(=O)NCCNC(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide?
The InChIKey is XLBYIWHCJBKMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-18(16,17)14-6-5-13-10(15)7-3-2-4-8(11)9(7)12/h2-4,14H,5-6,12H2,1H3,(H,13,15).
What are the key properties of 2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide?
2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide has a molecular weight of 291.76 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide is sourced from PubChem (CID 115540069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).