4-(3-chloro-2-cyanophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide

C20H21ClN2O4S — CID 6733541

IUPAC4-(3-chloro-2-cyanophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
SMILESN#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)NC2CCCCC2CO)cc1
InChIInChI=1S/C20H21ClN2O4S/c21-18-5-3-7-20(17(18)12-22)27-15-8-10-16(11-9-15)28(25,26)23-19-6-2-1-4-14(19)13-24/h3,5,7-11,14,19,23-24H,1-2,4,6,13H2
InChIKeyPDAGEGVUBSVWRJ-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.83
Rot. Bonds6

About 4-(3-chloro-2-cyanophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide

4-(3-chloro-2-cyanophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide (PubChem CID 6733541) has the molecular formula C20H21ClN2O4S and a molecular weight of 420.92 g/mol. Its IUPAC name is 4-(3-chloro-2-cyanophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(3-chloro-2-cyanophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
PubChem CID6733541
Molecular FormulaC20H21ClN2O4S
Molecular Weight420.92 g/mol
Exact Mass420.09
IUPAC Name4-(3-chloro-2-cyanophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
SMILESN#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)NC2CCCCC2CO)cc1
InChIInChI=1S/C20H21ClN2O4S/c21-18-5-3-7-20(17(18)12-22)27-15-8-10-16(11-9-15)28(25,26)23-19-6-2-1-4-14(19)13-24/h3,5,7-11,14,19,23-24H,1-2,4,6,13H2
InChIKeyPDAGEGVUBSVWRJ-UHFFFAOYSA-N
XLogP3.83
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-4-(3-chloro-2-cyanophenoxy)benzenesulfonamide
CID 3765000
2-[4-[4-(3-chloro-2-cyanophenoxy)phenyl]phenoxy]-6-[4-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonylphenoxy]benzonitrile
CID 21062512
4-(3-chloro-2-cyanophenoxy)-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide
CID 3868728
2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile
CID 62495723
4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103858722
methyl 2-[2-[[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate
CID 86594954
4-(3-chloro-2-cyanophenoxy)-N-[2-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3816310
4-(3-chloro-2-cyanophenoxy)-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide
CID 3291661
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836042
3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836072
methyl 3-[[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonylamino]-4-methylsulfonylthiophene-2-carboxylate
CID 3773867
4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-cyanophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-(3-chloro-2-cyanophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide (CID 6733541) is 4-(3-chloro-2-cyanophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-(3-chloro-2-cyanophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-(3-chloro-2-cyanophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide is N#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)NC2CCCCC2CO)cc1.
What is the InChIKey of 4-(3-chloro-2-cyanophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is PDAGEGVUBSVWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4S/c21-18-5-3-7-20(17(18)12-22)27-15-8-10-16(11-9-15)28(25,26)23-19-6-2-1-4-14(19)13-24/h3,5,7-11,14,19,23-24H,1-2,4,6,13H2.
What are the key properties of 4-(3-chloro-2-cyanophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
4-(3-chloro-2-cyanophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 420.92 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-cyanophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 6733541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).