N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide

C12H12ClNO3S2 — CID 110780125

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cccs2)cc1Cl
InChIInChI=1S/C12H12ClNO3S2/c1-17-11-5-4-9(7-10(11)13)8-14-19(15,16)12-3-2-6-18-12/h2-7,14H,8H2,1H3
InChIKeyUFZLKYCGIGGXJK-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.89
Rot. Bonds5

About N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide

N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 110780125) has the molecular formula C12H12ClNO3S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID110780125
Molecular FormulaC12H12ClNO3S2
Molecular Weight317.82 g/mol
Exact Mass316.99
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cccs2)cc1Cl
InChIInChI=1S/C12H12ClNO3S2/c1-17-11-5-4-9(7-10(11)13)8-14-19(15,16)12-3-2-6-18-12/h2-7,14H,8H2,1H3
InChIKeyUFZLKYCGIGGXJK-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-[(thiophen-2-ylsulfonylamino)methyl]phenyl]acetamide
CID 110783971
N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 65032752
N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 110782022
N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide
CID 35606425
3-chloro-4-methoxy-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91630400
N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970163
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 3810708
1-N,3-N-bis[(3,4-dichlorophenyl)methyl]-4-methoxybenzene-1,3-disulfonamide
CID 141131546
N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide
CID 3807214
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 110730606
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide
CID 110781511

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide (CID 110780125) is N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide is COc1ccc(CNS(=O)(=O)c2cccs2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is UFZLKYCGIGGXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S2/c1-17-11-5-4-9(7-10(11)13)8-14-19(15,16)12-3-2-6-18-12/h2-7,14H,8H2,1H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 317.82 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110780125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).