3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide

C14H19BrClNO3S — CID 106545578

IUPAC3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(C(C)C1CC1)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H19BrClNO3S/c1-10(11-3-4-11)17(7-8-20-2)21(18,19)12-5-6-14(16)13(15)9-12/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyKWTBYBSOQXDUCM-UHFFFAOYSA-N
MW396.73 g/mol
LogP3.54
Rot. Bonds7

About 3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide

3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 106545578) has the molecular formula C14H19BrClNO3S and a molecular weight of 396.73 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID106545578
Molecular FormulaC14H19BrClNO3S
Molecular Weight396.73 g/mol
Exact Mass395.00
IUPAC Name3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(C(C)C1CC1)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H19BrClNO3S/c1-10(11-3-4-11)17(7-8-20-2)21(18,19)12-5-6-14(16)13(15)9-12/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyKWTBYBSOQXDUCM-UHFFFAOYSA-N
XLogP3.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.73
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide
CID 81258859
3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 106545645
3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 106611794
4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 61109788
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide
CID 62159021
1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide
CID 83083949
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)propane-2-sulfonamide
CID 62351553
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 106546875
4-amino-3-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbenzenesulfonamide
CID 62058154
3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82959752
3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82943175
N-butan-2-yl-3-chloro-4-(chloromethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 107091030

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide (CID 106545578) is 3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide is COCCN(C(C)C1CC1)S(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is KWTBYBSOQXDUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO3S/c1-10(11-3-4-11)17(7-8-20-2)21(18,19)12-5-6-14(16)13(15)9-12/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide?
3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 396.73 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 106545578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).