2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide

C10H12BrCl2NO4S — CID 50876906

IUPAC2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)c(Cl)cc1Br)N(CCO)CCO
InChIInChI=1S/C10H12BrCl2NO4S/c11-7-5-8(12)9(13)6-10(7)19(17,18)14(1-3-15)2-4-16/h5-6,15-16H,1-4H2
InChIKeyIOYZDNOJCWRSMQ-UHFFFAOYSA-N
MW393.09 g/mol
LogP1.73
Rot. Bonds6

About 2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide

2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide (PubChem CID 50876906) has the molecular formula C10H12BrCl2NO4S and a molecular weight of 393.09 g/mol. Its IUPAC name is 2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
PubChem CID50876906
Molecular FormulaC10H12BrCl2NO4S
Molecular Weight393.09 g/mol
Exact Mass390.90
IUPAC Name2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)c(Cl)cc1Br)N(CCO)CCO
InChIInChI=1S/C10H12BrCl2NO4S/c11-7-5-8(12)9(13)6-10(7)19(17,18)14(1-3-15)2-4-16/h5-6,15-16H,1-4H2
InChIKeyIOYZDNOJCWRSMQ-UHFFFAOYSA-N
XLogP1.73
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.09
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-bromo-5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 103077363
4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61217623
2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 61217446
2,3,4-trichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 50876379
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 106546170
4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61139448
5-[bis(2-hydroxyethyl)sulfamoyl]-2-chlorobenzoate
CID 4577559
5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide
CID 80577825
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 54878608
2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61138879
2-chloro-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957799

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide (CID 50876906) is 2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(c1cc(Cl)c(Cl)cc1Br)N(CCO)CCO.
What is the InChIKey of 2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is IOYZDNOJCWRSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl2NO4S/c11-7-5-8(12)9(13)6-10(7)19(17,18)14(1-3-15)2-4-16/h5-6,15-16H,1-4H2.
What are the key properties of 2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 393.09 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 50876906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).