(2,3-dipropylphenyl)sulfamic acid

C12H19NO3S — CID 141410082

IUPAC(2,3-dipropylphenyl)sulfamic acid
SMILESCCCc1cccc(NS(=O)(=O)O)c1CCC
InChIInChI=1S/C12H19NO3S/c1-3-6-10-8-5-9-12(11(10)7-4-2)13-17(14,15)16/h5,8-9,13H,3-4,6-7H2,1-2H3,(H,14,15,16)
InChIKeyBVJIEOXXLNZBBC-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.81
Rot. Bonds6

About (2,3-dipropylphenyl)sulfamic acid

(2,3-dipropylphenyl)sulfamic acid (PubChem CID 141410082) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is (2,3-dipropylphenyl)sulfamic acid.

Molecular Properties

Compound Name(2,3-dipropylphenyl)sulfamic acid
PubChem CID141410082
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name(2,3-dipropylphenyl)sulfamic acid
SMILESCCCc1cccc(NS(=O)(=O)O)c1CCC
InChIInChI=1S/C12H19NO3S/c1-3-6-10-8-5-9-12(11(10)7-4-2)13-17(14,15)16/h5,8-9,13H,3-4,6-7H2,1-2H3,(H,14,15,16)
InChIKeyBVJIEOXXLNZBBC-UHFFFAOYSA-N
XLogP2.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

carbamothioic S-acid;(2,3-dipropylphenyl)carbamothioic S-acid
CID 87984747
trizinc;bis((2,3-dipropylphenyl)carbamodithioic acid);disulfide
CID 173085467
methyl N-(3-ethyl-2-propylphenyl)carbamate
CID 142214642
sulfuric acid;1,2,3-trihexadecylbenzene
CID 172861060
sulfuric acid;1,2,3-trioctylbenzene
CID 172814095
[2-(hydroxymethyl)-3-propylphenyl]methanol
CID 118644202
(2,3-dihexylphenyl)carbamic acid
CID 67251451
2-methyl-N-(2-propylphenyl)benzenesulfonamide
CID 63000036
2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide
CID 54972905
(2,3-didodecylphenyl)carbamic acid
CID 151626949
CID 160937062
CID 160937062
CID 160803924
CID 160803924

Frequently Asked Questions

What is the IUPAC name of (2,3-dipropylphenyl)sulfamic acid?
The IUPAC name of (2,3-dipropylphenyl)sulfamic acid (CID 141410082) is (2,3-dipropylphenyl)sulfamic acid.
What is the SMILES notation for (2,3-dipropylphenyl)sulfamic acid?
The canonical SMILES for (2,3-dipropylphenyl)sulfamic acid is CCCc1cccc(NS(=O)(=O)O)c1CCC.
What is the InChIKey of (2,3-dipropylphenyl)sulfamic acid?
The InChIKey is BVJIEOXXLNZBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-3-6-10-8-5-9-12(11(10)7-4-2)13-17(14,15)16/h5,8-9,13H,3-4,6-7H2,1-2H3,(H,14,15,16).
What are the key properties of (2,3-dipropylphenyl)sulfamic acid?
(2,3-dipropylphenyl)sulfamic acid has a molecular weight of 257.35 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dipropylphenyl)sulfamic acid is sourced from PubChem (CID 141410082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).