N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide

C20H19ClN2O2S — CID 139608957

IUPACN-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide
SMILESNCC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19ClN2O2S/c21-18-10-12-19(13-11-18)26(24,25)23-20(14-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,20,23H,14,22H2
InChIKeyDHPYCOFUNHZDCH-UHFFFAOYSA-N
MW386.90 g/mol
LogP3.99
Rot. Bonds6

About N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide

N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide (PubChem CID 139608957) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide
PubChem CID139608957
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC NameN-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide
SMILESNCC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19ClN2O2S/c21-18-10-12-19(13-11-18)26(24,25)23-20(14-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,20,23H,14,22H2
InChIKeyDHPYCOFUNHZDCH-UHFFFAOYSA-N
XLogP3.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
CID 3814235
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 102575603
3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 18328781
4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid
CID 58279902
N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide
CID 25019219
N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide
CID 23443554
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide
CID 66978869
3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide
CID 58835331
(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
CID 9161767

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide (CID 139608957) is N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide is NCC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide?
The InChIKey is DHPYCOFUNHZDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c21-18-10-12-19(13-11-18)26(24,25)23-20(14-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,20,23H,14,22H2.
What are the key properties of N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide?
N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide has a molecular weight of 386.90 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 139608957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).