2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide

C12H17BrN2O3S — CID 9189603

IUPAC2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCc1cc(S(=O)(=O)NCC(=O)NC(C)C)ccc1Br
InChIInChI=1S/C12H17BrN2O3S/c1-8(2)15-12(16)7-14-19(17,18)10-4-5-11(13)9(3)6-10/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeySVPPWBCDNFPKRL-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.56
Rot. Bonds5

About 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide

2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 9189603) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
PubChem CID9189603
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCc1cc(S(=O)(=O)NCC(=O)NC(C)C)ccc1Br
InChIInChI=1S/C12H17BrN2O3S/c1-8(2)15-12(16)7-14-19(17,18)10-4-5-11(13)9(3)6-10/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeySVPPWBCDNFPKRL-UHFFFAOYSA-N
XLogP1.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide
CID 9302289
4-bromo-3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668245
4-bromo-N-[(2S)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 51681214
4-[(4-bromo-3-methylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540369
2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 43568111
4-bromo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 113282590
4-bromo-3-methyl-N-propylbenzenesulfonamide
CID 2439945
2-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 115421255
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43400349
4-bromo-N-(2,2-dimethoxyethyl)-3-methylbenzenesulfonamide
CID 60707811
4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzenesulfonamide
CID 113318758
2-bromo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-5-(prop-2-enylsulfamoyl)benzamide
CID 9301754

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide (CID 9189603) is 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide is Cc1cc(S(=O)(=O)NCC(=O)NC(C)C)ccc1Br.
What is the InChIKey of 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is SVPPWBCDNFPKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-8(2)15-12(16)7-14-19(17,18)10-4-5-11(13)9(3)6-10/h4-6,8,14H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide?
2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 349.25 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9189603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).