N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide

C12H18BrClN2O2S — CID 106073470

IUPACN-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H18BrClN2O2S/c1-8(2)15-7-9(3)19(17,18)16-12-5-4-10(14)6-11(12)13/h4-6,8-9,15-16H,7H2,1-3H3
InChIKeyNAKOAQYJUYULGQ-UHFFFAOYSA-N
MW369.71 g/mol
LogP3.23
Rot. Bonds6

About N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide

N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106073470) has the molecular formula C12H18BrClN2O2S and a molecular weight of 369.71 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106073470
Molecular FormulaC12H18BrClN2O2S
Molecular Weight369.71 g/mol
Exact Mass368.00
IUPAC NameN-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H18BrClN2O2S/c1-8(2)15-7-9(3)19(17,18)16-12-5-4-10(14)6-11(12)13/h4-6,8-9,15-16H,7H2,1-3H3
InChIKeyNAKOAQYJUYULGQ-UHFFFAOYSA-N
XLogP3.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106061222
N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106067184
4-(1-aminoethyl)-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81280802
N-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106071152
N-(4-bromo-2,6-difluorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106066656
N-(2-bromo-4-methylphenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114140099
2-bromo-4-chloro-N-propan-2-ylaniline
CID 58692387
1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003304
1-(cyclopropylamino)-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003288
3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide
CID 81263929
N-(2,5-dichlorophenyl)propane-2-sulfonamide
CID 62999639
N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106059597

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106073470) is N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide is CC(C)NCC(C)S(=O)(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is NAKOAQYJUYULGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2O2S/c1-8(2)15-7-9(3)19(17,18)16-12-5-4-10(14)6-11(12)13/h4-6,8-9,15-16H,7H2,1-3H3.
What are the key properties of N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 369.71 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106073470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).