4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide

C12H17Cl2N3O3S — CID 82813067

IUPAC4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1cc(Cl)c(N)c(Cl)c1)NS(C)(=O)=O
InChIInChI=1S/C12H17Cl2N3O3S/c1-12(2,17-21(3,19)20)6-16-11(18)7-4-8(13)10(15)9(14)5-7/h4-5,17H,6,15H2,1-3H3,(H,16,18)
InChIKeyWKTVDSGQHUDTEN-UHFFFAOYSA-N
MW354.26 g/mol
LogP1.63
Rot. Bonds5

About 4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide

4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide (PubChem CID 82813067) has the molecular formula C12H17Cl2N3O3S and a molecular weight of 354.26 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
PubChem CID82813067
Molecular FormulaC12H17Cl2N3O3S
Molecular Weight354.26 g/mol
Exact Mass353.04
IUPAC Name4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1cc(Cl)c(N)c(Cl)c1)NS(C)(=O)=O
InChIInChI=1S/C12H17Cl2N3O3S/c1-12(2,17-21(3,19)20)6-16-11(18)7-4-8(13)10(15)9(14)5-7/h4-5,17H,6,15H2,1-3H3,(H,16,18)
InChIKeyWKTVDSGQHUDTEN-UHFFFAOYSA-N
XLogP1.63
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 51.63
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

3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 103736181
5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
CID 63861191
3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63862461
2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63863725
4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide
CID 63863361
5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
CID 63865625
4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide
CID 63862642
4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63866133
2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
CID 63862460
3-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-2-carboxamide
CID 63863169
2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methoxybenzamide
CID 63863359
6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide
CID 79555286

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide (CID 82813067) is 4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide is CC(C)(CNC(=O)c1cc(Cl)c(N)c(Cl)c1)NS(C)(=O)=O.
What is the InChIKey of 4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
The InChIKey is WKTVDSGQHUDTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O3S/c1-12(2,17-21(3,19)20)6-16-11(18)7-4-8(13)10(15)9(14)5-7/h4-5,17H,6,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide has a molecular weight of 354.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide is sourced from PubChem (CID 82813067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).