4-chloro-N,N-bis(2-hydroxyethyl)-3-nitrobenzenesulfonamide

C10H13ClN2O6S — CID 14622573

IUPAC4-chloro-N,N-bis(2-hydroxyethyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N(CCO)CCO)ccc1Cl
InChIInChI=1S/C10H13ClN2O6S/c11-9-2-1-8(7-10(9)13(16)17)20(18,19)12(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2
InChIKeyPEPBAZKEMFNVJS-UHFFFAOYSA-N
MW324.74 g/mol
LogP0.22
Rot. Bonds7

About 4-chloro-N,N-bis(2-hydroxyethyl)-3-nitrobenzenesulfonamide

4-chloro-N,N-bis(2-hydroxyethyl)-3-nitrobenzenesulfonamide (PubChem CID 14622573) has the molecular formula C10H13ClN2O6S and a molecular weight of 324.74 g/mol. Its IUPAC name is 4-chloro-N,N-bis(2-hydroxyethyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N,N-bis(2-hydroxyethyl)-3-nitrobenzenesulfonamide
PubChem CID14622573
Molecular FormulaC10H13ClN2O6S
Molecular Weight324.74 g/mol
Exact Mass324.02
IUPAC Name4-chloro-N,N-bis(2-hydroxyethyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N(CCO)CCO)ccc1Cl
InChIInChI=1S/C10H13ClN2O6S/c11-9-2-1-8(7-10(9)13(16)17)20(18,19)12(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2
InChIKeyPEPBAZKEMFNVJS-UHFFFAOYSA-N
XLogP0.22
TPSA120.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-3-nitrobenzenesulfonamide
CID 7324
4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzenesulfonamide
CID 3689032
Benzenesulfonamide, 4-chloro-N,N-dimethyl-3-nitro-
CID 67300
4-chloro-N,N-diethyl-3-nitrobenzenesulfonamide
CID 2833646
1-[(4-Chloro-3-nitrophenyl)sulfonyl]-4-methylpiperazine
CID 2842419
4-Chloro-N-isopropyl-3-nitrobenzenesulfonamide
CID 66780
4-chloro-N-(2-(dimethylamino)ethyl)-3-nitrobenzene-1-sulfonamide
CID 3703122
4-((2-Chloro-5-nitrophenyl)sulfonyl)morpholine
CID 3688337
4-chloro-N-[3-(morpholin-4-yl)propyl]-3-nitrobenzene-1-sulfonamide hydrochloride
CID 15945419
1-(4-Chloro-3-nitrobenzenesulfonyl)azepane
CID 3114950
4-chloro-3-nitro-N,N-di(propan-2-yl)benzenesulfonamide
CID 44297089
1-(4-Chloro-3-nitrobenzenesulfonyl)pyrrolidine
CID 2768393

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-bis(2-hydroxyethyl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-chloro-N,N-bis(2-hydroxyethyl)-3-nitrobenzenesulfonamide (CID 14622573) is 4-chloro-N,N-bis(2-hydroxyethyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N,N-bis(2-hydroxyethyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-chloro-N,N-bis(2-hydroxyethyl)-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)N(CCO)CCO)ccc1Cl.
What is the InChIKey of 4-chloro-N,N-bis(2-hydroxyethyl)-3-nitrobenzenesulfonamide?
The InChIKey is PEPBAZKEMFNVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O6S/c11-9-2-1-8(7-10(9)13(16)17)20(18,19)12(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2.
What are the key properties of 4-chloro-N,N-bis(2-hydroxyethyl)-3-nitrobenzenesulfonamide?
4-chloro-N,N-bis(2-hydroxyethyl)-3-nitrobenzenesulfonamide has a molecular weight of 324.74 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-bis(2-hydroxyethyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 14622573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).