3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide

C15H20ClNO4S — CID 39697634

IUPAC3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1Cl
InChIInChI=1S/C15H20ClNO4S/c1-20-15-5-4-13(8-14(15)16)22(18,19)17(12-2-3-12)9-11-6-7-21-10-11/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3/t11-/m1/s1
InChIKeyOVGLNPDNTSEICD-LLVKDONJSA-N
MW345.85 g/mol
LogP2.54
Rot. Bonds6

About 3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide

3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide (PubChem CID 39697634) has the molecular formula C15H20ClNO4S and a molecular weight of 345.85 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
PubChem CID39697634
Molecular FormulaC15H20ClNO4S
Molecular Weight345.85 g/mol
Exact Mass345.08
IUPAC Name3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1Cl
InChIInChI=1S/C15H20ClNO4S/c1-20-15-5-4-13(8-14(15)16)22(18,19)17(12-2-3-12)9-11-6-7-21-10-11/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3/t11-/m1/s1
InChIKeyOVGLNPDNTSEICD-LLVKDONJSA-N
XLogP2.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697628
3-chloro-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 86986018
5-[cyclopropyl(oxolan-3-ylmethyl)sulfamoyl]-2-methoxybenzamide
CID 47031527
N-cyclopropyl-2-methoxy-5-nitro-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697483
N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697581
3-amino-N-cyclopropyl-4-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61138357
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
CID 2240865
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-cycloheptylacetamide
CID 3917250
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100797119
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide
CID 3875641
5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905709
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
CID 78872535

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide (CID 39697634) is 3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1Cl.
What is the InChIKey of 3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
The InChIKey is OVGLNPDNTSEICD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20ClNO4S/c1-20-15-5-4-13(8-14(15)16)22(18,19)17(12-2-3-12)9-11-6-7-21-10-11/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of 3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide?
3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide has a molecular weight of 345.85 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 39697634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).