N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide

C14H20N2O4S — CID 27059218

IUPACN-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C14H20N2O4S/c1-10(17)15-11-6-8-12(9-7-11)21(19,20)16-13-4-2-3-5-14(13)18/h6-9,13-14,16,18H,2-5H2,1H3,(H,15,17)/t13-,14-/m0/s1
InChIKeyQHDWIRMETNMGCB-KBPBESRZSA-N
MW312.39 g/mol
LogP1.23
Rot. Bonds4

About N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide

N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide (PubChem CID 27059218) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide
PubChem CID27059218
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C14H20N2O4S/c1-10(17)15-11-6-8-12(9-7-11)21(19,20)16-13-4-2-3-5-14(13)18/h6-9,13-14,16,18H,2-5H2,1H3,(H,15,17)/t13-,14-/m0/s1
InChIKeyQHDWIRMETNMGCB-KBPBESRZSA-N
XLogP1.23
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydrazinyl-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 62360200
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylsulfonylbenzenesulfonamide
CID 104953140
4-(ethylamino)-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 62360398
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
N-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide
CID 67615689
N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide
CID 114295839
4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide
CID 40650403
N-[(1S,2R)-2-hydroxycyclohexyl]-4-nitrobenzenesulfonamide
CID 40617850
N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927556
3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 115329229

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide (CID 27059218) is N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)cc1.
What is the InChIKey of N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide?
The InChIKey is QHDWIRMETNMGCB-KBPBESRZSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10(17)15-11-6-8-12(9-7-11)21(19,20)16-13-4-2-3-5-14(13)18/h6-9,13-14,16,18H,2-5H2,1H3,(H,15,17)/t13-,14-/m0/s1.
What are the key properties of N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide?
N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide has a molecular weight of 312.39 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 27059218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).