4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide

C24H21ClN2O2S — CID 25358097

IUPAC4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H](CNc1cccc2ccccc12)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN2O2S/c25-20-13-15-21(16-14-20)30(28,29)27-24(19-8-2-1-3-9-19)17-26-23-12-6-10-18-7-4-5-11-22(18)23/h1-16,24,26-27H,17H2/t24-/m1/s1
InChIKeyLCOMGTVLUFRISF-XMMPIXPASA-N
MW436.96 g/mol
LogP5.62
Rot. Bonds7

About 4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide

4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide (PubChem CID 25358097) has the molecular formula C24H21ClN2O2S and a molecular weight of 436.96 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide
PubChem CID25358097
Molecular FormulaC24H21ClN2O2S
Molecular Weight436.96 g/mol
Exact Mass436.10
IUPAC Name4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H](CNc1cccc2ccccc12)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN2O2S/c25-20-13-15-21(16-14-20)30(28,29)27-24(19-8-2-1-3-9-19)17-26-23-12-6-10-18-7-4-5-11-22(18)23/h1-16,24,26-27H,17H2/t24-/m1/s1
InChIKeyLCOMGTVLUFRISF-XMMPIXPASA-N
XLogP5.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.96
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 139827869
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-naphthalen-1-ylpropanamide
CID 1295084
N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide
CID 139608957
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide
CID 3415984
[(2S)-2-(benzenesulfonamido)-2-phenylethyl]-[(4-chlorophenyl)methyl]azanium
CID 2560224
N-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide
CID 1369382
4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 10471593
N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide
CID 23443554
2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide
CID 70133318
2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid
CID 10044144
4-chloro-N-[(2R)-2-phenyl-2-(2-phenylhydrazinyl)ethyl]benzenesulfonamide
CID 51567307

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide (CID 25358097) is 4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide is O=S(=O)(N[C@H](CNc1cccc2ccccc12)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide?
The InChIKey is LCOMGTVLUFRISF-XMMPIXPASA-N. The full InChI is InChI=1S/C24H21ClN2O2S/c25-20-13-15-21(16-14-20)30(28,29)27-24(19-8-2-1-3-9-19)17-26-23-12-6-10-18-7-4-5-11-22(18)23/h1-16,24,26-27H,17H2/t24-/m1/s1.
What are the key properties of 4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide?
4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide has a molecular weight of 436.96 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 25358097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).