2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

C14H19Cl2NO3S — CID 79360538

IUPAC2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCC1(C)C(NS(=O)(=O)c2ccc(Cl)c(CO)c2Cl)C1(C)C
InChIInChI=1S/C14H19Cl2NO3S/c1-13(2)12(14(13,3)4)17-21(19,20)10-6-5-9(15)8(7-18)11(10)16/h5-6,12,17-18H,7H2,1-4H3
InChIKeyOODVIVKSGXSMHQ-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.20
Rot. Bonds4

About 2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (PubChem CID 79360538) has the molecular formula C14H19Cl2NO3S and a molecular weight of 352.28 g/mol. Its IUPAC name is 2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
PubChem CID79360538
Molecular FormulaC14H19Cl2NO3S
Molecular Weight352.28 g/mol
Exact Mass351.05
IUPAC Name2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCC1(C)C(NS(=O)(=O)c2ccc(Cl)c(CO)c2Cl)C1(C)C
InChIInChI=1S/C14H19Cl2NO3S/c1-13(2)12(14(13,3)4)17-21(19,20)10-6-5-9(15)8(7-18)11(10)16/h5-6,12,17-18H,7H2,1-4H3
InChIKeyOODVIVKSGXSMHQ-UHFFFAOYSA-N
XLogP3.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000246
2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide
CID 79356442
3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79351598
2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79356703
3-amino-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 107343683
2-fluoro-5-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79359868
2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 47002036
2,4-dichloro-3-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071850
3-(aminomethyl)-2,4-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106079098
2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide
CID 106019442
4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357727
3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83145270

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (CID 79360538) is 2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is CC1(C)C(NS(=O)(=O)c2ccc(Cl)c(CO)c2Cl)C1(C)C.
What is the InChIKey of 2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The InChIKey is OODVIVKSGXSMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3S/c1-13(2)12(14(13,3)4)17-21(19,20)10-6-5-9(15)8(7-18)11(10)16/h5-6,12,17-18H,7H2,1-4H3.
What are the key properties of 2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide has a molecular weight of 352.28 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 79360538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).