5-chloro-N-[(1R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-phenylethyl]thiophene-2-sulfonamide

C21H21ClN2O2S2 — CID 2531608

IUPAC5-chloro-N-[(1R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-phenylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@@H](CNc1ccc2c(c1)CCC2)c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C21H21ClN2O2S2/c22-20-11-12-21(27-20)28(25,26)24-19(16-5-2-1-3-6-16)14-23-18-10-9-15-7-4-8-17(15)13-18/h1-3,5-6,9-13,19,23-24H,4,7-8,14H2/t19-/m0/s1
InChIKeyWZMJAIPFZIJGMG-IBGZPJMESA-N
MW433.00 g/mol
LogP5.02
Rot. Bonds7

About 5-chloro-N-[(1R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-phenylethyl]thiophene-2-sulfonamide

5-chloro-N-[(1R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-phenylethyl]thiophene-2-sulfonamide (PubChem CID 2531608) has the molecular formula C21H21ClN2O2S2 and a molecular weight of 433.00 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-phenylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-phenylethyl]thiophene-2-sulfonamide
PubChem CID2531608
Molecular FormulaC21H21ClN2O2S2
Molecular Weight433.00 g/mol
Exact Mass432.07
IUPAC Name5-chloro-N-[(1R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-phenylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@@H](CNc1ccc2c(c1)CCC2)c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C21H21ClN2O2S2/c22-20-11-12-21(27-20)28(25,26)24-19(16-5-2-1-3-6-16)14-23-18-10-9-15-7-4-8-17(15)13-18/h1-3,5-6,9-13,19,23-24H,4,7-8,14H2/t19-/m0/s1
InChIKeyWZMJAIPFZIJGMG-IBGZPJMESA-N
XLogP5.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.00
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(1R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-phenylethyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-phenylethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(1R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-phenylethyl]thiophene-2-sulfonamide (CID 2531608) is 5-chloro-N-[(1R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-phenylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-phenylethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-phenylethyl]thiophene-2-sulfonamide is O=S(=O)(N[C@@H](CNc1ccc2c(c1)CCC2)c1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(1R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-phenylethyl]thiophene-2-sulfonamide?
The InChIKey is WZMJAIPFZIJGMG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H21ClN2O2S2/c22-20-11-12-21(27-20)28(25,26)24-19(16-5-2-1-3-6-16)14-23-18-10-9-15-7-4-8-17(15)13-18/h1-3,5-6,9-13,19,23-24H,4,7-8,14H2/t19-/m0/s1.
What are the key properties of 5-chloro-N-[(1R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-phenylethyl]thiophene-2-sulfonamide?
5-chloro-N-[(1R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-phenylethyl]thiophene-2-sulfonamide has a molecular weight of 433.00 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-2-(2,3-dihydro-1H-inden-5-ylamino)-1-phenylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2531608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).