2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide

C17H17Cl2NO3S — CID 90535544

IUPAC2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1ccccc1)C1CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2NO3S/c18-14-8-9-15(19)16(10-14)24(22,23)20-11-17(21,13-6-7-13)12-4-2-1-3-5-12/h1-5,8-10,13,20-21H,6-7,11H2
InChIKeyPYWKUZIDBVHJJC-UHFFFAOYSA-N
MW386.30 g/mol
LogP3.57
Rot. Bonds6

About 2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide

2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide (PubChem CID 90535544) has the molecular formula C17H17Cl2NO3S and a molecular weight of 386.30 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
PubChem CID90535544
Molecular FormulaC17H17Cl2NO3S
Molecular Weight386.30 g/mol
Exact Mass385.03
IUPAC Name2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1ccccc1)C1CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2NO3S/c18-14-8-9-15(19)16(10-14)24(22,23)20-11-17(21,13-6-7-13)12-4-2-1-3-5-12/h1-5,8-10,13,20-21H,6-7,11H2
InChIKeyPYWKUZIDBVHJJC-UHFFFAOYSA-N
XLogP3.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide
CID 71788798
2-bromo-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 95379538
1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide
CID 90535524
3-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 90535542
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide
CID 90535526
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 71788810
2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide
CID 66170118
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-methylbenzenesulfonamide
CID 71788797
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-methylbenzenesulfonamide
CID 95379479
5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methylbenzenesulfonamide
CID 90497128
4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 71788808
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 95379516

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide (CID 90535544) is 2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide is O=S(=O)(NCC(O)(c1ccccc1)C1CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide?
The InChIKey is PYWKUZIDBVHJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3S/c18-14-8-9-15(19)16(10-14)24(22,23)20-11-17(21,13-6-7-13)12-4-2-1-3-5-12/h1-5,8-10,13,20-21H,6-7,11H2.
What are the key properties of 2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide?
2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide has a molecular weight of 386.30 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 90535544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).