2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide

C11H16Br2N2O3S — CID 61111099

IUPAC2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C11H16Br2N2O3S/c1-2-3-15(4-5-16)19(17,18)11-9(13)6-8(12)7-10(11)14/h6-7,16H,2-5,14H2,1H3
InChIKeyKMDSLWFQQFOPCL-UHFFFAOYSA-N
MW416.14 g/mol
LogP2.19
Rot. Bonds6

About 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide

2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide (PubChem CID 61111099) has the molecular formula C11H16Br2N2O3S and a molecular weight of 416.14 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
PubChem CID61111099
Molecular FormulaC11H16Br2N2O3S
Molecular Weight416.14 g/mol
Exact Mass413.92
IUPAC Name2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C11H16Br2N2O3S/c1-2-3-15(4-5-16)19(17,18)11-9(13)6-8(12)7-10(11)14/h6-7,16H,2-5,14H2,1H3
InChIKeyKMDSLWFQQFOPCL-UHFFFAOYSA-N
XLogP2.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.14
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61111098
2-amino-4,6-dibromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102991009
2-bromo-4,6-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61216060
4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54880030
2-amino-4,6-dibromo-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107197612
3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide
CID 106504018
2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397026
N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide
CID 61425521
4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61217623
4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide
CID 60639771
2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61138879
2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111458

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide (CID 61111099) is 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide is CCCN(CCO)S(=O)(=O)c1c(N)cc(Br)cc1Br.
What is the InChIKey of 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
The InChIKey is KMDSLWFQQFOPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O3S/c1-2-3-15(4-5-16)19(17,18)11-9(13)6-8(12)7-10(11)14/h6-7,16H,2-5,14H2,1H3.
What are the key properties of 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide?
2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide has a molecular weight of 416.14 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 61111099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).