N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-chloro-2-hydroxybenzenesulfonamide

C16H14ClNO5S — CID 167769834

IUPACN-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-chloro-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(NC1(c2ccc3c(c2)OCO3)CC1)c1cccc(Cl)c1O
InChIInChI=1S/C16H14ClNO5S/c17-11-2-1-3-14(15(11)19)24(20,21)18-16(6-7-16)10-4-5-12-13(8-10)23-9-22-12/h1-5,8,18-19H,6-7,9H2
InChIKeyQMOAXABJCOKZJU-UHFFFAOYSA-N
MW367.81 g/mol
LogP2.74
Rot. Bonds4

About N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-chloro-2-hydroxybenzenesulfonamide

N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-chloro-2-hydroxybenzenesulfonamide (PubChem CID 167769834) has the molecular formula C16H14ClNO5S and a molecular weight of 367.81 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-chloro-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-chloro-2-hydroxybenzenesulfonamide
PubChem CID167769834
Molecular FormulaC16H14ClNO5S
Molecular Weight367.81 g/mol
Exact Mass367.03
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-chloro-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(NC1(c2ccc3c(c2)OCO3)CC1)c1cccc(Cl)c1O
InChIInChI=1S/C16H14ClNO5S/c17-11-2-1-3-14(15(11)19)24(20,21)18-16(6-7-16)10-4-5-12-13(8-10)23-9-22-12/h1-5,8,18-19H,6-7,9H2
InChIKeyQMOAXABJCOKZJU-UHFFFAOYSA-N
XLogP2.74
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-chloro-2-hydroxybenzenesulfonamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-chloro-2-hydroxybenzenesulfonamide (CID 167769834) is N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-chloro-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-chloro-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-chloro-2-hydroxybenzenesulfonamide is O=S(=O)(NC1(c2ccc3c(c2)OCO3)CC1)c1cccc(Cl)c1O.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-chloro-2-hydroxybenzenesulfonamide?
The InChIKey is QMOAXABJCOKZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO5S/c17-11-2-1-3-14(15(11)19)24(20,21)18-16(6-7-16)10-4-5-12-13(8-10)23-9-22-12/h1-5,8,18-19H,6-7,9H2.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-chloro-2-hydroxybenzenesulfonamide?
N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-chloro-2-hydroxybenzenesulfonamide has a molecular weight of 367.81 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-chloro-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 167769834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).