4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide

C16H18BrNO2S — CID 174424491

IUPAC4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1cc(S(N)(=O)=O)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO2S/c1-16(2,3)15-10-13(21(18,19)20)8-9-14(15)11-4-6-12(17)7-5-11/h4-10H,1-3H3,(H2,18,19,20)
InChIKeyLOPWRYCVHFOJEY-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.06
Rot. Bonds2

About 4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide

4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide (PubChem CID 174424491) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide
PubChem CID174424491
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1cc(S(N)(=O)=O)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO2S/c1-16(2,3)15-10-13(21(18,19)20)8-9-14(15)11-4-6-12(17)7-5-11/h4-10H,1-3H3,(H2,18,19,20)
InChIKeyLOPWRYCVHFOJEY-UHFFFAOYSA-N
XLogP4.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide?
The IUPAC name of 4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide (CID 174424491) is 4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide.
What is the SMILES notation for 4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide?
The canonical SMILES for 4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide is CC(C)(C)c1cc(S(N)(=O)=O)ccc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide?
The InChIKey is LOPWRYCVHFOJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-16(2,3)15-10-13(21(18,19)20)8-9-14(15)11-4-6-12(17)7-5-11/h4-10H,1-3H3,(H2,18,19,20).
What are the key properties of 4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide?
4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide has a molecular weight of 368.30 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-tert-butylbenzenesulfonamide is sourced from PubChem (CID 174424491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).