2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide

C16H17BrN2O3S — CID 1329684

IUPAC2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide
SMILESCNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17BrN2O3S/c1-18-16(20)12-19(11-13-7-9-14(17)10-8-13)23(21,22)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyZQHQLOMFSIIZTF-UHFFFAOYSA-N
MW397.29 g/mol
LogP2.39
Rot. Bonds6

About 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide

2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide (PubChem CID 1329684) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide
PubChem CID1329684
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC Name2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide
SMILESCNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17BrN2O3S/c1-18-16(20)12-19(11-13-7-9-14(17)10-8-13)23(21,22)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyZQHQLOMFSIIZTF-UHFFFAOYSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-butylacetamide
CID 126066266
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide
CID 126396038
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-ethylacetamide
CID 3136902
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-prop-2-enylacetamide
CID 2264372
2-[benzyl-(4-bromophenyl)sulfonylamino]acetate
CID 7317037
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 94864258
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 2204806
N-benzyl-N-[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]benzenesulfonamide
CID 9179817
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 137168087
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 126085501
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1276393
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-tert-butylacetamide
CID 2174588

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide?
The IUPAC name of 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide (CID 1329684) is 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide is CNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide?
The InChIKey is ZQHQLOMFSIIZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-18-16(20)12-19(11-13-7-9-14(17)10-8-13)23(21,22)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,18,20).
What are the key properties of 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide?
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide has a molecular weight of 397.29 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide is sourced from PubChem (CID 1329684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).