5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide

C16H18BrNO2S — CID 94163199

IUPAC5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Br
InChIInChI=1S/C16H18BrNO2S/c1-11-9-12(2)16(10-15(11)17)21(19,20)18-13(3)14-7-5-4-6-8-14/h4-10,13,18H,1-3H3/t13-/m1/s1
InChIKeyZRBLQCYODABLNT-CYBMUJFWSA-N
MW368.30 g/mol
LogP4.11
Rot. Bonds4

About 5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide

5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide (PubChem CID 94163199) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
PubChem CID94163199
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Br
InChIInChI=1S/C16H18BrNO2S/c1-11-9-12(2)16(10-15(11)17)21(19,20)18-13(3)14-7-5-4-6-8-14/h4-10,13,18H,1-3H3/t13-/m1/s1
InChIKeyZRBLQCYODABLNT-CYBMUJFWSA-N
XLogP4.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 107864152
4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 42998950
2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
CID 19680818
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-bromo-4,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 9185824
2-bromo-4,5-dimethoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 9185826
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810
2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148
2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 71954745
1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
CID 1274088

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide (CID 94163199) is 5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Br.
What is the InChIKey of 5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The InChIKey is ZRBLQCYODABLNT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-11-9-12(2)16(10-15(11)17)21(19,20)18-13(3)14-7-5-4-6-8-14/h4-10,13,18H,1-3H3/t13-/m1/s1.
What are the key properties of 5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide has a molecular weight of 368.30 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 94163199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).