4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide

C12H17ClN2O3S — CID 79552037

IUPAC4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1ccc(N)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C12H17ClN2O3S/c1-12(2,19(3,17)18)7-15-11(16)9-5-4-8(14)6-10(9)13/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyXBQZQKYMKLMPPH-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.48
Rot. Bonds4

About 4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide

4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide (PubChem CID 79552037) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
PubChem CID79552037
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1ccc(N)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C12H17ClN2O3S/c1-12(2,19(3,17)18)7-15-11(16)9-5-4-8(14)6-10(9)13/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyXBQZQKYMKLMPPH-UHFFFAOYSA-N
XLogP1.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79551946
4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087
4-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110464984
methyl 3-[(4-amino-2-chlorobenzoyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789369
4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103812552
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 16775677
5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide
CID 61166278
5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79555934
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675
2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79551334
4-amino-2-chloro-N-(2-ethylbutyl)benzamide
CID 115738201

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide (CID 79552037) is 4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide is CC(C)(CNC(=O)c1ccc(N)cc1Cl)S(C)(=O)=O.
What is the InChIKey of 4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
The InChIKey is XBQZQKYMKLMPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-12(2,19(3,17)18)7-15-11(16)9-5-4-8(14)6-10(9)13/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide?
4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide has a molecular weight of 304.80 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide is sourced from PubChem (CID 79552037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).