5-chloro-N-[1-[3-(hydroxymethyl)but-3-enyl]cyclohexyl]thiophene-2-sulfonamide

C15H22ClNO3S2 — CID 66930235

IUPAC5-chloro-N-[1-[3-(hydroxymethyl)but-3-enyl]cyclohexyl]thiophene-2-sulfonamide
SMILESC=C(CO)CCC1(NS(=O)(=O)c2ccc(Cl)s2)CCCCC1
InChIInChI=1S/C15H22ClNO3S2/c1-12(11-18)7-10-15(8-3-2-4-9-15)17-22(19,20)14-6-5-13(16)21-14/h5-6,17-18H,1-4,7-11H2
InChIKeyOSRLNXINTVFKAU-UHFFFAOYSA-N
MW363.93 g/mol
LogP3.71
Rot. Bonds7

About 5-chloro-N-[1-[3-(hydroxymethyl)but-3-enyl]cyclohexyl]thiophene-2-sulfonamide

5-chloro-N-[1-[3-(hydroxymethyl)but-3-enyl]cyclohexyl]thiophene-2-sulfonamide (PubChem CID 66930235) has the molecular formula C15H22ClNO3S2 and a molecular weight of 363.93 g/mol. Its IUPAC name is 5-chloro-N-[1-[3-(hydroxymethyl)but-3-enyl]cyclohexyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-[3-(hydroxymethyl)but-3-enyl]cyclohexyl]thiophene-2-sulfonamide
PubChem CID66930235
Molecular FormulaC15H22ClNO3S2
Molecular Weight363.93 g/mol
Exact Mass363.07
IUPAC Name5-chloro-N-[1-[3-(hydroxymethyl)but-3-enyl]cyclohexyl]thiophene-2-sulfonamide
SMILESC=C(CO)CCC1(NS(=O)(=O)c2ccc(Cl)s2)CCCCC1
InChIInChI=1S/C15H22ClNO3S2/c1-12(11-18)7-10-15(8-3-2-4-9-15)17-22(19,20)14-6-5-13(16)21-14/h5-6,17-18H,1-4,7-11H2
InChIKeyOSRLNXINTVFKAU-UHFFFAOYSA-N
XLogP3.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[(5-chlorothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate
CID 31854379
N-[1-(hydroxymethyl)cyclopentyl]-5-methylthiophene-2-sulfonamide
CID 55082164
N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride
CID 119998693
tert-butyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]-4-(hydroxymethyl)piperidine-1-carboxylate
CID 22500714
5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
CID 114293728
5-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-sulfonamide
CID 114297084
N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
CID 65031136
5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide
CID 16674138
5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide
CID 134161161
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378
5-chloro-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 6470902
(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[3-(hydroxymethyl)but-3-enyl]cyclohexyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-[3-(hydroxymethyl)but-3-enyl]cyclohexyl]thiophene-2-sulfonamide (CID 66930235) is 5-chloro-N-[1-[3-(hydroxymethyl)but-3-enyl]cyclohexyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-[3-(hydroxymethyl)but-3-enyl]cyclohexyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-[3-(hydroxymethyl)but-3-enyl]cyclohexyl]thiophene-2-sulfonamide is C=C(CO)CCC1(NS(=O)(=O)c2ccc(Cl)s2)CCCCC1.
What is the InChIKey of 5-chloro-N-[1-[3-(hydroxymethyl)but-3-enyl]cyclohexyl]thiophene-2-sulfonamide?
The InChIKey is OSRLNXINTVFKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S2/c1-12(11-18)7-10-15(8-3-2-4-9-15)17-22(19,20)14-6-5-13(16)21-14/h5-6,17-18H,1-4,7-11H2.
What are the key properties of 5-chloro-N-[1-[3-(hydroxymethyl)but-3-enyl]cyclohexyl]thiophene-2-sulfonamide?
5-chloro-N-[1-[3-(hydroxymethyl)but-3-enyl]cyclohexyl]thiophene-2-sulfonamide has a molecular weight of 363.93 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[3-(hydroxymethyl)but-3-enyl]cyclohexyl]thiophene-2-sulfonamide is sourced from PubChem (CID 66930235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).