4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide

C11H15ClN2O3S — CID 82836345

IUPAC4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NCC2CCCO2)c1
InChIInChI=1S/C11H15ClN2O3S/c12-10-4-3-9(18(13,15)16)6-11(10)14-7-8-2-1-5-17-8/h3-4,6,8,14H,1-2,5,7H2,(H2,13,15,16)
InChIKeyPOXQIZGSNSWNRD-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.58
Rot. Bonds4

About 4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide

4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide (PubChem CID 82836345) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide
PubChem CID82836345
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NCC2CCCO2)c1
InChIInChI=1S/C11H15ClN2O3S/c12-10-4-3-9(18(13,15)16)6-11(10)14-7-8-2-1-5-17-8/h3-4,6,8,14H,1-2,5,7H2,(H2,13,15,16)
InChIKeyPOXQIZGSNSWNRD-UHFFFAOYSA-N
XLogP1.58
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247341
3-(2-chloro-5-sulfamoylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125161769
4-chloro-3-(cyclohex-3-en-1-ylmethylamino)benzenesulfonamide
CID 43745770
3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43098597
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522
N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65159878
4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 4991638
3-chloro-4-(oxolan-2-ylmethylamino)benzoic acid
CID 63087283
3-amino-4-chloro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014501
4-chloro-3-(cyclohexylamino)benzenesulfonamide
CID 43745858
2,5-dichloro-4-methyl-N-(oxan-2-ylmethyl)aniline
CID 104726778
4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981235

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide?
The IUPAC name of 4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide (CID 82836345) is 4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(Cl)c(NCC2CCCO2)c1.
What is the InChIKey of 4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide?
The InChIKey is POXQIZGSNSWNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c12-10-4-3-9(18(13,15)16)6-11(10)14-7-8-2-1-5-17-8/h3-4,6,8,14H,1-2,5,7H2,(H2,13,15,16).
What are the key properties of 4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide?
4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide has a molecular weight of 290.77 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(oxolan-2-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 82836345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).