N-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide

C12H18ClNO3S — CID 63000379

IUPACN-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)C(C)C)cc1Cl
InChIInChI=1S/C12H18ClNO3S/c1-8(2)17-12-6-5-10(7-11(12)13)14-18(15,16)9(3)4/h5-9,14H,1-4H3
InChIKeyHAOMQXRGICPQIO-UHFFFAOYSA-N
MW291.80 g/mol
LogP3.28
Rot. Bonds5

About N-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide

N-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide (PubChem CID 63000379) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is N-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide
PubChem CID63000379
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC NameN-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)C(C)C)cc1Cl
InChIInChI=1S/C12H18ClNO3S/c1-8(2)17-12-6-5-10(7-11(12)13)14-18(15,16)9(3)4/h5-9,14H,1-4H3
InChIKeyHAOMQXRGICPQIO-UHFFFAOYSA-N
XLogP3.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-4-propan-2-yloxyphenyl)sulfamoyl]propanoic acid
CID 61455322
3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide
CID 79585676
N-(3,4-dichlorophenyl)propane-2-sulfonamide
CID 62999267
3-[(3-chloro-4-propan-2-yloxyphenyl)sulfamoyl]propanoic acid
CID 43715511
2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride
CID 60858307
N-(3-chloro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 38943082
2-chloro-4-(propan-2-ylsulfonylamino)benzamide
CID 62997643
3-chloro-N-(1-cyclopropylethyl)-4-propan-2-yloxyaniline
CID 43727180
N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide
CID 47306002
3-chloro-N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
CID 43727182
2-(3-chloro-4-propan-2-yloxyanilino)acetamide
CID 96674678
3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
CID 62231321

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide?
The IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide (CID 63000379) is N-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide?
The canonical SMILES for N-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide is CC(C)Oc1ccc(NS(=O)(=O)C(C)C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide?
The InChIKey is HAOMQXRGICPQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-8(2)17-12-6-5-10(7-11(12)13)14-18(15,16)9(3)4/h5-9,14H,1-4H3.
What are the key properties of N-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide?
N-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide has a molecular weight of 291.80 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide is sourced from PubChem (CID 63000379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).