4-chloro-3-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide

C13H17ClN2O2S — CID 43745770

IUPAC4-chloro-3-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NCC2CC=CCC2)c1
InChIInChI=1S/C13H17ClN2O2S/c14-12-7-6-11(19(15,17)18)8-13(12)16-9-10-4-2-1-3-5-10/h1-2,6-8,10,16H,3-5,9H2,(H2,15,17,18)
InChIKeyPYUNPFOKDQLMKU-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.76
Rot. Bonds4

About 4-chloro-3-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide

4-chloro-3-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide (PubChem CID 43745770) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 4-chloro-3-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide
PubChem CID43745770
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name4-chloro-3-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NCC2CC=CCC2)c1
InChIInChI=1S/C13H17ClN2O2S/c14-12-7-6-11(19(15,17)18)8-13(12)16-9-10-4-2-1-3-5-10/h1-2,6-8,10,16H,3-5,9H2,(H2,15,17,18)
InChIKeyPYUNPFOKDQLMKU-UHFFFAOYSA-N
XLogP2.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1R)-cyclohex-3-en-1-yl]methylamino]-4-methylbenzenesulfonamide
CID 129365495
3-bromo-4-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide
CID 43745614
4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide
CID 82836345
3-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylbenzenesulfonamide
CID 43752019
4-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 82907537
4-chloro-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
CID 113489821
4-chloro-3-(cyclohexylamino)benzenesulfonamide
CID 43745858
3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide
CID 43744206
2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline
CID 62655982
2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide
CID 60867729
N-(2-chloro-5-sulfamoylphenyl)-2-cyclohexylacetamide
CID 61130512
4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
CID 106594205

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide?
The IUPAC name of 4-chloro-3-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide (CID 43745770) is 4-chloro-3-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(Cl)c(NCC2CC=CCC2)c1.
What is the InChIKey of 4-chloro-3-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide?
The InChIKey is PYUNPFOKDQLMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c14-12-7-6-11(19(15,17)18)8-13(12)16-9-10-4-2-1-3-5-10/h1-2,6-8,10,16H,3-5,9H2,(H2,15,17,18).
What are the key properties of 4-chloro-3-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide?
4-chloro-3-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide has a molecular weight of 300.81 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 43745770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).