4-chloro-3-methoxy-N-propan-2-ylbenzenesulfonamide

C10H14ClNO3S — CID 1257337

IUPAC4-chloro-3-methoxy-N-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC(C)C)ccc1Cl
InChIInChI=1S/C10H14ClNO3S/c1-7(2)12-16(13,14)8-4-5-9(11)10(6-8)15-3/h4-7,12H,1-3H3
InChIKeyGYDRGOOMECTAGI-UHFFFAOYSA-N
MW263.75 g/mol
LogP2.04
Rot. Bonds4

About 4-chloro-3-methoxy-N-propan-2-ylbenzenesulfonamide

4-chloro-3-methoxy-N-propan-2-ylbenzenesulfonamide (PubChem CID 1257337) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-propan-2-ylbenzenesulfonamide
PubChem CID1257337
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name4-chloro-3-methoxy-N-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC(C)C)ccc1Cl
InChIInChI=1S/C10H14ClNO3S/c1-7(2)12-16(13,14)8-4-5-9(11)10(6-8)15-3/h4-7,12H,1-3H3
InChIKeyGYDRGOOMECTAGI-UHFFFAOYSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-3-methoxy-N-propan-2-ylbenzenesulfonamide (CID 1257337) is 4-chloro-3-methoxy-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methoxy-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-3-methoxy-N-propan-2-ylbenzenesulfonamide is COc1cc(S(=O)(=O)NC(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-propan-2-ylbenzenesulfonamide?
The InChIKey is GYDRGOOMECTAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-7(2)12-16(13,14)8-4-5-9(11)10(6-8)15-3/h4-7,12H,1-3H3.
What are the key properties of 4-chloro-3-methoxy-N-propan-2-ylbenzenesulfonamide?
4-chloro-3-methoxy-N-propan-2-ylbenzenesulfonamide has a molecular weight of 263.75 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 1257337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).