3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C16H18ClNO3S2 — CID 90610883

IUPAC3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(Cl)c1)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C16H18ClNO3S2/c17-13-3-1-5-16(11-13)23(19,20)18(12-15-4-2-10-22-15)14-6-8-21-9-7-14/h1-5,10-11,14H,6-9,12H2
InChIKeyNTQWSOBHCZLIRR-UHFFFAOYSA-N
MW371.91 g/mol
LogP3.77
Rot. Bonds5

About 3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 90610883) has the molecular formula C16H18ClNO3S2 and a molecular weight of 371.91 g/mol. Its IUPAC name is 3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID90610883
Molecular FormulaC16H18ClNO3S2
Molecular Weight371.91 g/mol
Exact Mass371.04
IUPAC Name3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(Cl)c1)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C16H18ClNO3S2/c17-13-3-1-5-16(11-13)23(19,20)18(12-15-4-2-10-22-15)14-6-8-21-9-7-14/h1-5,10-11,14H,6-9,12H2
InChIKeyNTQWSOBHCZLIRR-UHFFFAOYSA-N
XLogP3.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496109
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158478
3-nitro-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90611161
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 90610868
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 18190644
2-ethoxy-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 90610877
N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496100
N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496096
N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 60960278
1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 90496128
N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496094

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 90610883) is 3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1cccc(Cl)c1)N(Cc1cccs1)C1CCOCC1.
What is the InChIKey of 3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is NTQWSOBHCZLIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S2/c17-13-3-1-5-16(11-13)23(19,20)18(12-15-4-2-10-22-15)14-6-8-21-9-7-14/h1-5,10-11,14H,6-9,12H2.
What are the key properties of 3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 371.91 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 90610883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).