2-(2-bromobutyl)benzenesulfonamide

C10H14BrNO2S — CID 63203633

IUPAC2-(2-bromobutyl)benzenesulfonamide
SMILESCCC(Br)Cc1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H14BrNO2S/c1-2-9(11)7-8-5-3-4-6-10(8)15(12,13)14/h3-6,9H,2,7H2,1H3,(H2,12,13,14)
InChIKeyXYOHANCOZGACLJ-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.05
Rot. Bonds4

About 2-(2-bromobutyl)benzenesulfonamide

2-(2-bromobutyl)benzenesulfonamide (PubChem CID 63203633) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 2-(2-bromobutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-bromobutyl)benzenesulfonamide
PubChem CID63203633
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name2-(2-bromobutyl)benzenesulfonamide
SMILESCCC(Br)Cc1ccccc1S(N)(=O)=O
InChIInChI=1S/C10H14BrNO2S/c1-2-9(11)7-8-5-3-4-6-10(8)15(12,13)14/h3-6,9H,2,7H2,1H3,(H2,12,13,14)
InChIKeyXYOHANCOZGACLJ-UHFFFAOYSA-N
XLogP2.05
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-3-methylbutyl)benzenesulfonamide
CID 63197534
2-(2-hydroxypentyl)benzenesulfonamide
CID 63201594
1-(2-bromopentyl)-2-(difluoromethylsulfonyl)benzene
CID 55220091
2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide
CID 63198012
2-(2-amino-3-methoxypropyl)benzenesulfonamide
CID 63197223
2-(2-bromopentan-3-yl)benzenesulfonamide
CID 63203612
2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide
CID 63355092
2-benzylbenzenesulfonamide;methane
CID 175312349
2-nonylbenzenesulfonamide
CID 70447042
2-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 69371931
1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene
CID 162446270
2-(naphthalen-1-ylmethyl)benzenesulfonamide
CID 69182114

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromobutyl)benzenesulfonamide?
The IUPAC name of 2-(2-bromobutyl)benzenesulfonamide (CID 63203633) is 2-(2-bromobutyl)benzenesulfonamide.
What is the SMILES notation for 2-(2-bromobutyl)benzenesulfonamide?
The canonical SMILES for 2-(2-bromobutyl)benzenesulfonamide is CCC(Br)Cc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(2-bromobutyl)benzenesulfonamide?
The InChIKey is XYOHANCOZGACLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-2-9(11)7-8-5-3-4-6-10(8)15(12,13)14/h3-6,9H,2,7H2,1H3,(H2,12,13,14).
What are the key properties of 2-(2-bromobutyl)benzenesulfonamide?
2-(2-bromobutyl)benzenesulfonamide has a molecular weight of 292.20 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromobutyl)benzenesulfonamide is sourced from PubChem (CID 63203633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).