1-(benzenesulfonyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide

C17H23NO4S — CID 118768125

IUPAC1-(benzenesulfonyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H23NO4S/c19-15(18-13-16(20)9-5-2-6-10-16)17(11-12-17)23(21,22)14-7-3-1-4-8-14/h1,3-4,7-8,20H,2,5-6,9-13H2,(H,18,19)
InChIKeyCNCUTBHESVBPRG-UHFFFAOYSA-N
MW337.44 g/mol
LogP1.80
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide

1-(benzenesulfonyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide (PubChem CID 118768125) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide
PubChem CID118768125
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Name1-(benzenesulfonyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H23NO4S/c19-15(18-13-16(20)9-5-2-6-10-16)17(11-12-17)23(21,22)14-7-3-1-4-8-14/h1,3-4,7-8,20H,2,5-6,9-13H2,(H,18,19)
InChIKeyCNCUTBHESVBPRG-UHFFFAOYSA-N
XLogP1.80
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426
N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64865922
phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate
CID 65110390
N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide
CID 64866337
1-(benzenesulfonyl)-N-prop-2-enylcyclopent-3-ene-1-carboxamide
CID 24819532
1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 32902979
1-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 16592029
N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 65122861
1-(benzenesulfonyl)-N-[3-(diethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 16590699
2-[1-(benzenesulfonyl)cyclopropanecarbonyl]oxyethyl 1-(benzenesulfonyl)cyclopropane-1-carboxylate
CID 118199306
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
1-(benzenesulfonyl)-N-propylcyclopent-3-ene-1-carboxamide
CID 24816510

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide (CID 118768125) is 1-(benzenesulfonyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide is O=C(NCC1(O)CCCCC1)C1(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is CNCUTBHESVBPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4S/c19-15(18-13-16(20)9-5-2-6-10-16)17(11-12-17)23(21,22)14-7-3-1-4-8-14/h1,3-4,7-8,20H,2,5-6,9-13H2,(H,18,19).
What are the key properties of 1-(benzenesulfonyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide?
1-(benzenesulfonyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 337.44 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 118768125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).