3-chloro-5-(3,4-diamino-5-chlorophenyl)sulfonylbenzene-1,2-diamine

C12H12Cl2N4O2S — CID 67543687

IUPAC3-chloro-5-(3,4-diamino-5-chlorophenyl)sulfonylbenzene-1,2-diamine
SMILESNc1cc(S(=O)(=O)c2cc(N)c(N)c(Cl)c2)cc(Cl)c1N
InChIInChI=1S/C12H12Cl2N4O2S/c13-7-1-5(3-9(15)11(7)17)21(19,20)6-2-8(14)12(18)10(16)4-6/h1-4H,15-18H2
InChIKeyNNSJWJIHAYTCCR-UHFFFAOYSA-N
MW347.23 g/mol
LogP2.15
Rot. Bonds2

About 3-chloro-5-(3,4-diamino-5-chlorophenyl)sulfonylbenzene-1,2-diamine

3-chloro-5-(3,4-diamino-5-chlorophenyl)sulfonylbenzene-1,2-diamine (PubChem CID 67543687) has the molecular formula C12H12Cl2N4O2S and a molecular weight of 347.23 g/mol. Its IUPAC name is 3-chloro-5-(3,4-diamino-5-chlorophenyl)sulfonylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-5-(3,4-diamino-5-chlorophenyl)sulfonylbenzene-1,2-diamine
PubChem CID67543687
Molecular FormulaC12H12Cl2N4O2S
Molecular Weight347.23 g/mol
Exact Mass346.01
IUPAC Name3-chloro-5-(3,4-diamino-5-chlorophenyl)sulfonylbenzene-1,2-diamine
SMILESNc1cc(S(=O)(=O)c2cc(N)c(N)c(Cl)c2)cc(Cl)c1N
InChIInChI=1S/C12H12Cl2N4O2S/c13-7-1-5(3-9(15)11(7)17)21(19,20)6-2-8(14)12(18)10(16)4-6/h1-4H,15-18H2
InChIKeyNNSJWJIHAYTCCR-UHFFFAOYSA-N
XLogP2.15
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chlorobenzene-1,2,4-triamine
CID 21330853
3,5-dichlorobenzene-1,2-diamine;dihydrochloride
CID 17385558
3-amino-5-chloro-4-hydroxybenzenesulfonic acid
CID 22133
3-chloro-5-iodobenzene-1,2-diamine
CID 91678168
2-amino-5-(4-amino-3,5-dihydroxyphenyl)sulfonylbenzene-1,3-diol
CID 22184164
3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 70564740
bis(4-amino-3-chloro-5-methylbenzenesulfonate);nickel(2+)
CID 101303858
3,4-diamino-5-chlorobenzenesulfinic acid
CID 174601454
2-chloro-5-methylsulfonylbenzene-1,3-diamine
CID 130155054
2-chloro-4-(3-chloro-4-sulfidophenyl)sulfonylbenzenethiolate
CID 7241638
1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene
CID 2388443
1,5-diamino-2,4,6,8-tetrachloroanthracene-9,10-dione
CID 13162759

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,4-diamino-5-chlorophenyl)sulfonylbenzene-1,2-diamine?
The IUPAC name of 3-chloro-5-(3,4-diamino-5-chlorophenyl)sulfonylbenzene-1,2-diamine (CID 67543687) is 3-chloro-5-(3,4-diamino-5-chlorophenyl)sulfonylbenzene-1,2-diamine.
What is the SMILES notation for 3-chloro-5-(3,4-diamino-5-chlorophenyl)sulfonylbenzene-1,2-diamine?
The canonical SMILES for 3-chloro-5-(3,4-diamino-5-chlorophenyl)sulfonylbenzene-1,2-diamine is Nc1cc(S(=O)(=O)c2cc(N)c(N)c(Cl)c2)cc(Cl)c1N.
What is the InChIKey of 3-chloro-5-(3,4-diamino-5-chlorophenyl)sulfonylbenzene-1,2-diamine?
The InChIKey is NNSJWJIHAYTCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O2S/c13-7-1-5(3-9(15)11(7)17)21(19,20)6-2-8(14)12(18)10(16)4-6/h1-4H,15-18H2.
What are the key properties of 3-chloro-5-(3,4-diamino-5-chlorophenyl)sulfonylbenzene-1,2-diamine?
3-chloro-5-(3,4-diamino-5-chlorophenyl)sulfonylbenzene-1,2-diamine has a molecular weight of 347.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,4-diamino-5-chlorophenyl)sulfonylbenzene-1,2-diamine is sourced from PubChem (CID 67543687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).