4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide

C14H21ClN2O3S — CID 49021281

IUPAC4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide
SMILESCC(C)(C)CCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1
InChIInChI=1S/C14H21ClN2O3S/c1-14(2,3)7-8-16-13(18)10-5-6-11(15)12(9-10)17-21(4,19)20/h5-6,9,17H,7-8H2,1-4H3,(H,16,18)
InChIKeyXVRIIYWMAQJWOG-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.88
Rot. Bonds5

About 4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide

4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide (PubChem CID 49021281) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide
PubChem CID49021281
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide
SMILESCC(C)(C)CCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1
InChIInChI=1S/C14H21ClN2O3S/c1-14(2,3)7-8-16-13(18)10-5-6-11(15)12(9-10)17-21(4,19)20/h5-6,9,17H,7-8H2,1-4H3,(H,16,18)
InChIKeyXVRIIYWMAQJWOG-UHFFFAOYSA-N
XLogP2.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide
CID 49019461
4-chloro-3-(methanesulfonamido)-N-nonylbenzamide
CID 60604741
4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide
CID 49014960
4-chloro-3-(methanesulfonamido)-N-[(2S)-3-methyl-2-phenylbutyl]benzamide
CID 52514330
N-(4-acetamidophenyl)-4-chloro-3-(methanesulfonamido)benzamide
CID 49013931
4-chloro-3-(methanesulfonamido)-N-[(3R)-2-methylpentan-3-yl]benzamide
CID 95592917
N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide
CID 23592519
4-chloro-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)benzamide
CID 100786334
4-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 49021544
4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 49018159
N-[5-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-2-chlorophenyl]methanesulfonamide
CID 49014753
N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide
CID 115611491

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide?
The IUPAC name of 4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide (CID 49021281) is 4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide.
What is the SMILES notation for 4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide?
The canonical SMILES for 4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide is CC(C)(C)CCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide?
The InChIKey is XVRIIYWMAQJWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-14(2,3)7-8-16-13(18)10-5-6-11(15)12(9-10)17-21(4,19)20/h5-6,9,17H,7-8H2,1-4H3,(H,16,18).
What are the key properties of 4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide?
4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide has a molecular weight of 332.85 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,3-dimethylbutyl)-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 49021281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).