3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide

C15H18ClNO3S2 — CID 35202750

IUPAC3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCCCOc1cc(S(=O)(=O)NCc2cccs2)ccc1Cl
InChIInChI=1S/C15H18ClNO3S2/c1-2-3-8-20-15-10-13(6-7-14(15)16)22(18,19)17-11-12-5-4-9-21-12/h4-7,9-10,17H,2-3,8,11H2,1H3
InChIKeyMUCOWVNYULZJCS-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.06
Rot. Bonds8

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

3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 35202750) has the molecular formula C15H18ClNO3S2 and a molecular weight of 359.90 g/mol. Its IUPAC name is 3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID35202750
Molecular FormulaC15H18ClNO3S2
Molecular Weight359.90 g/mol
Exact Mass359.04
IUPAC Name3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCCCOc1cc(S(=O)(=O)NCc2cccs2)ccc1Cl
InChIInChI=1S/C15H18ClNO3S2/c1-2-3-8-20-15-10-13(6-7-14(15)16)22(18,19)17-11-12-5-4-9-21-12/h4-7,9-10,17H,2-3,8,11H2,1H3
InChIKeyMUCOWVNYULZJCS-UHFFFAOYSA-N
XLogP4.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 1259590
4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267851
4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35202847
N-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide
CID 42065850
3-butoxy-4-chlorobenzenesulfonyl chloride
CID 50876022
4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35299415
5,6-dichloro-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 64622728
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675
N-(thiophen-2-ylmethyl)-3-[3-(thiophen-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 3453501
4-chloro-3-ethoxy-N-ethylbenzenesulfonamide
CID 6459389
2-methoxy-N-propyl-5-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 27261015
3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 81258558

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 35202750) is 3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCCCOc1cc(S(=O)(=O)NCc2cccs2)ccc1Cl.
What is the InChIKey of 3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is MUCOWVNYULZJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3S2/c1-2-3-8-20-15-10-13(6-7-14(15)16)22(18,19)17-11-12-5-4-9-21-12/h4-7,9-10,17H,2-3,8,11H2,1H3.
What are the key properties of 3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 359.90 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-4-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 35202750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).