N-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide

C22H21ClN2O3S — CID 155516741

IUPACN-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-16-6-2-3-7-19(16)22(26)24-14-17-10-12-18(13-11-17)15-25-29(27,28)21-9-5-4-8-20(21)23/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyQZJLIVYCVDKGKH-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.06
Rot. Bonds7

About N-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide

N-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide (PubChem CID 155516741) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is N-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide
PubChem CID155516741
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC NameN-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-16-6-2-3-7-19(16)22(26)24-14-17-10-12-18(13-11-17)15-25-29(27,28)21-9-5-4-8-20(21)23/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyQZJLIVYCVDKGKH-UHFFFAOYSA-N
XLogP4.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[[4-[[(2-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155516846
2-methyl-N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155521624
N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide
CID 61401064
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
2-chloro-N-[[4-(methoxymethyl)phenyl]methyl]benzenesulfonamide
CID 34263580
N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 110285339
[(2-chlorophenyl)sulfonylamino] 2-methylbenzoate
CID 90715436
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887
2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993228
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072
N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 46203552

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide (CID 155516741) is N-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide?
The InChIKey is QZJLIVYCVDKGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-16-6-2-3-7-19(16)22(26)24-14-17-10-12-18(13-11-17)15-25-29(27,28)21-9-5-4-8-20(21)23/h2-13,25H,14-15H2,1H3,(H,24,26).
What are the key properties of N-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide?
N-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide has a molecular weight of 428.94 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 155516741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).