N-(1-chlorohex-5-en-2-yl)benzenesulfonamide

C12H16ClNO2S — CID 71390492

IUPACN-(1-chlorohex-5-en-2-yl)benzenesulfonamide
SMILESC=CCCC(CCl)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H16ClNO2S/c1-2-3-7-11(10-13)14-17(15,16)12-8-5-4-6-9-12/h2,4-6,8-9,11,14H,1,3,7,10H2
InChIKeyPJYRHGYPFVWJCA-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.54
Rot. Bonds7

About N-(1-chlorohex-5-en-2-yl)benzenesulfonamide

N-(1-chlorohex-5-en-2-yl)benzenesulfonamide (PubChem CID 71390492) has the molecular formula C12H16ClNO2S and a molecular weight of 273.79 g/mol. Its IUPAC name is N-(1-chlorohex-5-en-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-chlorohex-5-en-2-yl)benzenesulfonamide
PubChem CID71390492
Molecular FormulaC12H16ClNO2S
Molecular Weight273.79 g/mol
Exact Mass273.06
IUPAC NameN-(1-chlorohex-5-en-2-yl)benzenesulfonamide
SMILESC=CCCC(CCl)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H16ClNO2S/c1-2-3-7-11(10-13)14-17(15,16)12-8-5-4-6-9-12/h2,4-6,8-9,11,14H,1,3,7,10H2
InChIKeyPJYRHGYPFVWJCA-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide
CID 25016898
N-(1,3-difluoropropan-2-yl)benzenesulfonamide
CID 67606525
4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide
CID 42632338
N-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide
CID 15312074
N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102467096
1-chlorohex-5-enylsulfonylbenzene
CID 14785129
N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 102308151
N-(1-oxopentan-2-yl)benzenesulfonamide
CID 174520678
2-(benzenesulfonyl)hex-5-enenitrile
CID 10263483
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
1-(benzenesulfonyl)hept-6-en-3-ol
CID 164677064
N-nonan-4-ylbenzenesulfonamide
CID 174769116

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorohex-5-en-2-yl)benzenesulfonamide?
The IUPAC name of N-(1-chlorohex-5-en-2-yl)benzenesulfonamide (CID 71390492) is N-(1-chlorohex-5-en-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-chlorohex-5-en-2-yl)benzenesulfonamide?
The canonical SMILES for N-(1-chlorohex-5-en-2-yl)benzenesulfonamide is C=CCCC(CCl)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(1-chlorohex-5-en-2-yl)benzenesulfonamide?
The InChIKey is PJYRHGYPFVWJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-2-3-7-11(10-13)14-17(15,16)12-8-5-4-6-9-12/h2,4-6,8-9,11,14H,1,3,7,10H2.
What are the key properties of N-(1-chlorohex-5-en-2-yl)benzenesulfonamide?
N-(1-chlorohex-5-en-2-yl)benzenesulfonamide has a molecular weight of 273.79 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorohex-5-en-2-yl)benzenesulfonamide is sourced from PubChem (CID 71390492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).