3-chloro-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzenesulfonamide

C15H16ClNO4S — CID 121085513

IUPAC3-chloro-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1ccco1)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO4S/c16-12-3-1-4-13(9-12)22(19,20)17-10-15(18,11-6-7-11)14-5-2-8-21-14/h1-5,8-9,11,17-18H,6-7,10H2
InChIKeyNTBGWLKRTXALKW-UHFFFAOYSA-N
MW341.82 g/mol
LogP2.51
Rot. Bonds6

About 3-chloro-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzenesulfonamide

3-chloro-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzenesulfonamide (PubChem CID 121085513) has the molecular formula C15H16ClNO4S and a molecular weight of 341.82 g/mol. Its IUPAC name is 3-chloro-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzenesulfonamide
PubChem CID121085513
Molecular FormulaC15H16ClNO4S
Molecular Weight341.82 g/mol
Exact Mass341.05
IUPAC Name3-chloro-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1ccco1)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO4S/c16-12-3-1-4-13(9-12)22(19,20)17-10-15(18,11-6-7-11)14-5-2-8-21-14/h1-5,8-9,11,17-18H,6-7,10H2
InChIKeyNTBGWLKRTXALKW-UHFFFAOYSA-N
XLogP2.51
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide
CID 95982384
1-(2-chlorophenyl)-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide
CID 71781530
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 121085546
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide
CID 121085545
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-methylbenzenesulfonamide
CID 71788797
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-methylbenzenesulfonamide
CID 95379479
N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 95982418
1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide
CID 90535524
2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 90535544
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide
CID 90535526
3-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzenesulfonamide
CID 106256101

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzenesulfonamide (CID 121085513) is 3-chloro-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzenesulfonamide is O=S(=O)(NCC(O)(c1ccco1)C1CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzenesulfonamide?
The InChIKey is NTBGWLKRTXALKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S/c16-12-3-1-4-13(9-12)22(19,20)17-10-15(18,11-6-7-11)14-5-2-8-21-14/h1-5,8-9,11,17-18H,6-7,10H2.
What are the key properties of 3-chloro-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzenesulfonamide?
3-chloro-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzenesulfonamide has a molecular weight of 341.82 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzenesulfonamide is sourced from PubChem (CID 121085513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).