4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide

C10H15ClN2O4S — CID 61139448

IUPAC4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N(CCO)CCO)c(Cl)c1
InChIInChI=1S/C10H15ClN2O4S/c11-9-7-8(12)1-2-10(9)18(16,17)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6,12H2
InChIKeyFBTNQSVVMPDMBO-UHFFFAOYSA-N
MW294.76 g/mol
LogP-0.10
Rot. Bonds6

About 4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide

4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide (PubChem CID 61139448) has the molecular formula C10H15ClN2O4S and a molecular weight of 294.76 g/mol. Its IUPAC name is 4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
PubChem CID61139448
Molecular FormulaC10H15ClN2O4S
Molecular Weight294.76 g/mol
Exact Mass294.04
IUPAC Name4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N(CCO)CCO)c(Cl)c1
InChIInChI=1S/C10H15ClN2O4S/c11-9-7-8(12)1-2-10(9)18(16,17)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6,12H2
InChIKeyFBTNQSVVMPDMBO-UHFFFAOYSA-N
XLogP-0.10
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111272
5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61140970
4-amino-2-chloro-N-(2-cyanoethyl)-N-ethylbenzenesulfonamide
CID 61138325
4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63696287
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
2,3,4-trichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 50876379
2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587561
5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 54879902
2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61138879
4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269143
2-bromo-4,5-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 50876906
4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891916

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide (CID 61139448) is 4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)N(CCO)CCO)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is FBTNQSVVMPDMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S/c11-9-7-8(12)1-2-10(9)18(16,17)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6,12H2.
What are the key properties of 4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 294.76 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 61139448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).