2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide

C15H15Br2NO2S — CID 107864152

IUPAC2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Br
InChIInChI=1S/C15H15Br2NO2S/c1-10-8-14(17)15(9-13(10)16)21(19,20)18-11(2)12-6-4-3-5-7-12/h3-9,11,18H,1-2H3/t11-/m0/s1
InChIKeyKVXYCBLVBXWSQH-NSHDSACASA-N
MW433.17 g/mol
LogP4.56
Rot. Bonds4

About 2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide

2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide (PubChem CID 107864152) has the molecular formula C15H15Br2NO2S and a molecular weight of 433.17 g/mol. Its IUPAC name is 2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
PubChem CID107864152
Molecular FormulaC15H15Br2NO2S
Molecular Weight433.17 g/mol
Exact Mass430.92
IUPAC Name2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Br
InChIInChI=1S/C15H15Br2NO2S/c1-10-8-14(17)15(9-13(10)16)21(19,20)18-11(2)12-6-4-3-5-7-12/h3-9,11,18H,1-2H3/t11-/m0/s1
InChIKeyKVXYCBLVBXWSQH-NSHDSACASA-N
XLogP4.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.17
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 94163199
2-bromo-4,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 9185824
2-bromo-4,5-dimethoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 9185826
4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 42998950
4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide
CID 106035478
4-bromo-N-(1-phenylethyl)naphthalene-1-sulfonamide
CID 91670104
4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide
CID 99798402
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810
2,5-dibromo-N-but-3-en-2-yl-4-methylbenzenesulfonamide
CID 115698660
2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
CID 19680818
2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148
1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
CID 1274088

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide (CID 107864152) is 2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Br.
What is the InChIKey of 2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The InChIKey is KVXYCBLVBXWSQH-NSHDSACASA-N. The full InChI is InChI=1S/C15H15Br2NO2S/c1-10-8-14(17)15(9-13(10)16)21(19,20)18-11(2)12-6-4-3-5-7-12/h3-9,11,18H,1-2H3/t11-/m0/s1.
What are the key properties of 2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide?
2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide has a molecular weight of 433.17 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 107864152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).