3-bromo-N-tert-butylbenzenesulfonamide

C10H14BrNO2S — CID 4820926

IUPAC3-bromo-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C10H14BrNO2S/c1-10(2,3)12-15(13,14)9-6-4-5-8(11)7-9/h4-7,12H,1-3H3
InChIKeyPKTQHWKZGFKXGT-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.53
Rot. Bonds2

About 3-bromo-N-tert-butylbenzenesulfonamide

3-bromo-N-tert-butylbenzenesulfonamide (PubChem CID 4820926) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 3-bromo-N-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-tert-butylbenzenesulfonamide
PubChem CID4820926
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name3-bromo-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C10H14BrNO2S/c1-10(2,3)12-15(13,14)9-6-4-5-8(11)7-9/h4-7,12H,1-3H3
InChIKeyPKTQHWKZGFKXGT-UHFFFAOYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-tert-butylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-tert-butylbenzenesulfonamide (CID 4820926) is 3-bromo-N-tert-butylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-tert-butylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-tert-butylbenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-tert-butylbenzenesulfonamide?
The InChIKey is PKTQHWKZGFKXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-10(2,3)12-15(13,14)9-6-4-5-8(11)7-9/h4-7,12H,1-3H3.
What are the key properties of 3-bromo-N-tert-butylbenzenesulfonamide?
3-bromo-N-tert-butylbenzenesulfonamide has a molecular weight of 292.20 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-tert-butylbenzenesulfonamide is sourced from PubChem (CID 4820926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).