N-[(4-chlorophenyl)-(4-methylphenyl)methyl]-5-propylthiophene-2-sulfonamide

C21H22ClNO2S2 — CID 166322907

IUPACN-[(4-chlorophenyl)-(4-methylphenyl)methyl]-5-propylthiophene-2-sulfonamide
SMILESCCCc1ccc(S(=O)(=O)NC(c2ccc(C)cc2)c2ccc(Cl)cc2)s1
InChIInChI=1S/C21H22ClNO2S2/c1-3-4-19-13-14-20(26-19)27(24,25)23-21(16-7-5-15(2)6-8-16)17-9-11-18(22)12-10-17/h5-14,21,23H,3-4H2,1-2H3
InChIKeyUJMHVQZPYJAIHC-UHFFFAOYSA-N
MW420.00 g/mol
LogP5.73
Rot. Bonds7

About N-[(4-chlorophenyl)-(4-methylphenyl)methyl]-5-propylthiophene-2-sulfonamide

N-[(4-chlorophenyl)-(4-methylphenyl)methyl]-5-propylthiophene-2-sulfonamide (PubChem CID 166322907) has the molecular formula C21H22ClNO2S2 and a molecular weight of 420.00 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(4-methylphenyl)methyl]-5-propylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(4-methylphenyl)methyl]-5-propylthiophene-2-sulfonamide
PubChem CID166322907
Molecular FormulaC21H22ClNO2S2
Molecular Weight420.00 g/mol
Exact Mass419.08
IUPAC NameN-[(4-chlorophenyl)-(4-methylphenyl)methyl]-5-propylthiophene-2-sulfonamide
SMILESCCCc1ccc(S(=O)(=O)NC(c2ccc(C)cc2)c2ccc(Cl)cc2)s1
InChIInChI=1S/C21H22ClNO2S2/c1-3-4-19-13-14-20(26-19)27(24,25)23-21(16-7-5-15(2)6-8-16)17-9-11-18(22)12-10-17/h5-14,21,23H,3-4H2,1-2H3
InChIKeyUJMHVQZPYJAIHC-UHFFFAOYSA-N
XLogP5.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.00
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(R)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide
CID 38005000
N-(4-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060756
N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 134952581
N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106023200
2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 94015794
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
5-(2-aminoethyl)-N-(1-phenylethyl)thiophene-2-sulfonamide
CID 43520782
N-[(4-chlorophenyl)-(4-methylphenyl)sulfonylmethyl]-4-methylbenzenesulfonamide
CID 16743563
5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018814
2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide
CID 61052546
ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate
CID 24777338
5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide
CID 60709157

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(4-methylphenyl)methyl]-5-propylthiophene-2-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)-(4-methylphenyl)methyl]-5-propylthiophene-2-sulfonamide (CID 166322907) is N-[(4-chlorophenyl)-(4-methylphenyl)methyl]-5-propylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(4-methylphenyl)methyl]-5-propylthiophene-2-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)-(4-methylphenyl)methyl]-5-propylthiophene-2-sulfonamide is CCCc1ccc(S(=O)(=O)NC(c2ccc(C)cc2)c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[(4-chlorophenyl)-(4-methylphenyl)methyl]-5-propylthiophene-2-sulfonamide?
The InChIKey is UJMHVQZPYJAIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO2S2/c1-3-4-19-13-14-20(26-19)27(24,25)23-21(16-7-5-15(2)6-8-16)17-9-11-18(22)12-10-17/h5-14,21,23H,3-4H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-(4-methylphenyl)methyl]-5-propylthiophene-2-sulfonamide?
N-[(4-chlorophenyl)-(4-methylphenyl)methyl]-5-propylthiophene-2-sulfonamide has a molecular weight of 420.00 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(4-methylphenyl)methyl]-5-propylthiophene-2-sulfonamide is sourced from PubChem (CID 166322907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).