2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide

C12H18ClN3O3S — CID 63863725

IUPAC2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1c(N)cccc1Cl)NS(C)(=O)=O
InChIInChI=1S/C12H18ClN3O3S/c1-12(2,16-20(3,18)19)7-15-11(17)10-8(13)5-4-6-9(10)14/h4-6,16H,7,14H2,1-3H3,(H,15,17)
InChIKeyKDWJWACIYSBJEZ-UHFFFAOYSA-N
MW319.81 g/mol
LogP0.98
Rot. Bonds5

About 2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide

2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide (PubChem CID 63863725) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
PubChem CID63863725
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1c(N)cccc1Cl)NS(C)(=O)=O
InChIInChI=1S/C12H18ClN3O3S/c1-12(2,16-20(3,18)19)7-15-11(17)10-8(13)5-4-6-9(10)14/h4-6,16H,7,14H2,1-3H3,(H,15,17)
InChIKeyKDWJWACIYSBJEZ-UHFFFAOYSA-N
XLogP0.98
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 82813067
2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 114168954
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015
3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 103736181
4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide
CID 63863361
2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 63660396
3-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-2-carboxamide
CID 63863169
2-amino-6-chloro-N-prop-2-enylbenzamide
CID 63658592
2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide
CID 63863359
2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70334221
2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 63660422
2-amino-6-chloro-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 63660232

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
The IUPAC name of 2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide (CID 63863725) is 2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
The canonical SMILES for 2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide is CC(C)(CNC(=O)c1c(N)cccc1Cl)NS(C)(=O)=O.
What is the InChIKey of 2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
The InChIKey is KDWJWACIYSBJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-12(2,16-20(3,18)19)7-15-11(17)10-8(13)5-4-6-9(10)14/h4-6,16H,7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide has a molecular weight of 319.81 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide is sourced from PubChem (CID 63863725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).