4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C17H19ClN2O3S — CID 119974420

IUPAC4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCN1)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c18-16-5-1-2-6-17(16)23-14-7-9-15(10-8-14)24(21,22)20-12-13-4-3-11-19-13/h1-2,5-10,13,19-20H,3-4,11-12H2
InChIKeyIQWDIPWOJALBBV-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.16
Rot. Bonds6

About 4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 119974420) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID119974420
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCN1)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c18-16-5-1-2-6-17(16)23-14-7-9-15(10-8-14)24(21,22)20-12-13-4-3-11-19-13/h1-2,5-10,13,19-20H,3-4,11-12H2
InChIKeyIQWDIPWOJALBBV-UHFFFAOYSA-N
XLogP3.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974273
4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide
CID 59710547
4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide
CID 3543296
4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-3-ium-4-yl]methyl]benzenesulfonamide
CID 142170734
2,3-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974073
3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540409
N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride
CID 119972685
N-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride
CID 119970878
2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514188
4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974008
4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide
CID 3535745
4-(2-chlorophenoxy)-N-(2-methylphenyl)benzenesulfonamide
CID 3530960

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 119974420) is 4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCCN1)c1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is IQWDIPWOJALBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c18-16-5-1-2-6-17(16)23-14-7-9-15(10-8-14)24(21,22)20-12-13-4-3-11-19-13/h1-2,5-10,13,19-20H,3-4,11-12H2.
What are the key properties of 4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 366.87 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 119974420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).