N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide

C15H18ClNO4S2 — CID 46406758

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC(C)c2ccc(Cl)s2)cc1
InChIInChI=1S/C15H18ClNO4S2/c1-11(14-7-8-15(16)22-14)17-23(18,19)13-5-3-12(4-6-13)21-10-9-20-2/h3-8,11,17H,9-10H2,1-2H3
InChIKeySSEJPCQPMIOVEN-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.47
Rot. Bonds8

About N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 46406758) has the molecular formula C15H18ClNO4S2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
PubChem CID46406758
Molecular FormulaC15H18ClNO4S2
Molecular Weight375.90 g/mol
Exact Mass375.04
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC(C)c2ccc(Cl)s2)cc1
InChIInChI=1S/C15H18ClNO4S2/c1-11(14-7-8-15(16)22-14)17-23(18,19)13-5-3-12(4-6-13)21-10-9-20-2/h3-8,11,17H,9-10H2,1-2H3
InChIKeySSEJPCQPMIOVEN-UHFFFAOYSA-N
XLogP3.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate
CID 34154732
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 46406797
3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 55627830
N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35295897
N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35291114
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 55598938
methyl 2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]butanoate
CID 71858268
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 61468700
4-(2-methoxyethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17353518
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide
CID 61472334
4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62664978
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106003980

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide (CID 46406758) is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)NC(C)c2ccc(Cl)s2)cc1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is SSEJPCQPMIOVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4S2/c1-11(14-7-8-15(16)22-14)17-23(18,19)13-5-3-12(4-6-13)21-10-9-20-2/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 375.90 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 46406758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).